Logo

Browse the CompAS GitHub page



The international collaboration on Computation Atomic Structure

CompAS Publications

Authors Title Year Source title Volume Issue Art. No. Page start DOI
Parpia F.A.; Grant I.P. Accurate dirac-coulomb energies for the ground states of helium-like atoms 1990 Journal of Physics B: Atomic, Molecular and Optical Physics 23 2   211 10.1088/0953-4075/23/2/005
Fischer C.F.; Guo W. Spline algorithms for the hartree-fock equation for the helium ground state 1990 Journal of Computational Physics 90 2   486 10.1016/0021-9991(90)90176-2
Bell K.L.; Berrington K.A.; Burke P.G. et al. Photoionisation of the 2p33s 3,5S0, 2p33p3,5P states of atomic oxygen 1990 Journal of Physics B: Atomic, Molecular and Optical Physics 23 13 17 2259S 10.1088/0953-4075/23/13/017
Gaardsted J.O.; Brage T.; Fischer C.F. et al. Experimental and theoretical study of core-excited states of Al III 1990 Physica Scripta 42 5   543 10.1088/0031-8949/42/5/007
Quiney H.M.; Grant I.P.; Wilson S. Relativistic many-body perturbation theory using analytic basis functions 1990 Journal of Physics B: Atomic, Molecular and Optical Physics 23 13 2 L271 10.1088/0953-4075/23/13/002
Andersen T.; Gaardsted J.O.; Srensen L.E. et al. Optical transition in the negative magnesium ion 1990 Physical Review A 42 5   2728 10.1103/PhysRevA.42.2728
Fritzsche S.; Mohammedein A.M.M.; Musiol G. et al. Atomic data for accelerator-based X-ray fluorescence spectroscopy 1990 Nuclear Inst. and Methods in Physics Research, B 50 1-4   353 10.1016/0168-583X(90)90381-4
Sienkiewicz J.E. Spin polarisation and differential cross sections in elastic low-energy scattering of electrons from mercury 1990 Journal of Physics B: Atomic, Molecular and Optical Physics 23 11 20 1869 10.1088/0953-4075/23/11/020
Bell K.L.; Hibbert A. Oscillator strengths for allowed transitions in atomic oxygen 1990 Journal of Physics B: Atomic, Molecular and Optical Physics 23 16 11 2673 10.1088/0953-4075/23/16/011
Fischer C.F. Variational predictions of transition energies and electron affinities: He and Li ground states and Li, Be, and Mg core-excited states 1990 Physical Review A 41 7   3481 10.1103/PhysRevA.41.3481
Ojha P.C.; Hibbert A. Oscillator strengths for transitions among the low-lying fine-structure levels of chlorine 1990 Physica Scripta 42 4   424 10.1088/0031-8949/42/4/007
Huet T.R.; Godefroid M.; Herman M. The A ̃ electronic state of acetylene: Geometry and axis-switching effects 1990 Journal of Molecular Spectroscopy 144 1   32 10.1016/0022-2852(90)90306-B
Sienkiewicz J.E. Spin polarisation of electrons elastically scattered from lead 1990 Physics Letters A 143 4-5   244 10.1016/0375-9601(90)90747-C
Reiche I.; Fritzsche S.; Musiol G. et al. Fine structure splitting in argon Kα X-ray emission spectra 1990 Physics Letters A 145 8-9   441 10.1016/0375-9601(90)90310-K
Keenan F.P.; Burke P.G.; Hibbert A. et al. Electron density sensitive line ratios for Ni XX in tokamak plasmas 1990 Physica Scripta 41 2   257 10.1088/0031-8949/41/2/010
Fischer C.F.; Idrees M. Spline methods for resonances in photoionisation cross sections 1990 Journal of Physics B: Atomic, Molecular and Optical Physics 23 4   679 10.1088/0953-4075/23/4/002
Kleiner I.; Godefroid M.; Herman M. et al. The fundamental torsion band in acetaldehyde 1990 Journal of Molecular Spectroscopy 142 2   238 10.1016/0022-2852(90)90181-O
Guilmot J.M.; Carleer M.; Godefroid M. et al. The ν1 fundamental band of trans-HNO2 1990 Journal of Molecular Spectroscopy 143 1   81 10.1016/0022-2852(90)90262-O
Mohan M.; Hibbert A.; Berrington K.A. et al. Electron impact excitation of neon-like S VII from its ground state 1990 Journal of Physics B: Atomic, Molecular and Optical Physics 23 6   989 10.1088/0953-4075/23/6/007
Miecznik G.; Burke P.G.; Hibbert A. Photoionization of the ground state of singly ionized calcium 1990 Journal of Physics B: Atomic, Molecular and Optical Physics 23 19   3305 10.1088/0953-4075/23/19/014
Mohan M.; Hibbert A.; Berrington K.A. et al. Electron impact excitation of neon-like S VII from its ground state 1990 Journal of Physics B: Atomic, Molecular and Optical Physics 23 6   986 10.1088/20150006234962
Mohan M.; Hibbert A.; Burke P.G. Electron impact excitation of Ni XX from its ground state 1990 Journal of Physics B: Atomic, Molecular and Optical Physics 23 6   997 10.1088/0953-4075/23/6/008
Lisini A.; Hibbert A. Theoretical study of the core photoionization of lithium 1990 Journal of Physics B: Atomic, Molecular and Optical Physics 23 21   3767 10.1088/0953-4075/23/21/013
Hibbert A.; Hansen J.E. Lifetimes of some 3p44p levels in Ar II 1989 Journal of Physics B: Atomic, Molecular and Optical Physics 22 13 1 L347 10.1088/0953-4075/22/13/001
Brage T.; Hibbert A. Plunging configurations and J-dependent lifetimes in Mg-like ions 1989 Journal of Physics B: Atomic, Molecular and Optical Physics 22 5 4 713 10.1088/0953-4075/22/5/004
Idrees M.; Fischer C.F. Fine-structure splitting of some high-L, Rydberg states of helium 1989 Nuclear Inst. and Methods in Physics Research, B 42 4   552 10.1016/0168-583X(89)90116-X
Sienkiewicz J.E.; Baylis W.E. Low-energy elastic e–Xe scattering: The effect of exchange in the polarisation potential 1989 Journal of Physics B: Atomic, Molecular and Optical Physics 22 22 21 3733 10.1088/0953-4075/22/22/021
Dyall K.G.; Grant I.P.; Johnson C.T. et al. GRASP: A general-purpose relativistic atomic structure program 1989 Computer Physics Communications 55 3   425 10.1016/0010-4655(89)90136-7
Hibbert A. The use of model potentials in oscillator strength calculations 1989 Physica Scripta 39 5   574 10.1088/0031-8949/39/5/006
Umar V.M.; Fischer C.F. Multitasking the davidson algorithm for the large, sparse eigenvalue problem 1989 International Journal of High Performance Computing Applications 3 4   28 10.1177/109434208900300404
Thornbury J.F.; Hibbert A.; Träbert E. The lifetimes of the 3s24s 2S states in the aluminium sequence 1989 Physica Scripta 40 4   472 10.1088/0031-8949/40/4/006
Fischer C.F.; Idrees M. Autoionization rates for core excited 5P states in Na- 1989 Physica Scripta 39 1   70 10.1088/0031-8949/39/1/010
Fischer C.F. Binding energies for p electrons in negative alkaline-earth elements 1989 Physical Review A 39 3   963 10.1103/PhysRevA.39.963
Ojha P.C.; Hibbert A. Oscillator strengths for transitions among the low-lying energy levels of S II 1989 Journal of Physics B: Atomic, Molecular and Optical Physics 22 8 8 1153 10.1088/0953-4075/22/8/008
Godefroid M.; Lievin J.; Heenen P.-H. Laguerre meshes in atomic structure calculations 1989 Journal of Physics B: Atomic, Molecular and Optical Physics 22 20 6 3119 10.1088/0953-4075/22/20/006
Sienkiewicz J.E.; Baylis W.E. Low-energy elastic scattering of positrons on argon 1989 Physical Review A 40 7   3662 10.1103/PhysRevA.40.3662
Quiney H.M.; Grant I.P.; Wilson S. On the accuracy of Dirac-Hartree-Fock calculations using analytic basis sets 1989 Journal of Physics B: Atomic, Molecular and Optical Physics 22 2 1 L15 10.1088/0953-4075/22/2/001
Fischer C.F.; Chen D. Numerical multiconfiguration Hartree-Fock calculations for nsnp3P states of Rb and Cs negative ions 1989 Journal of Molecular Structure: THEOCHEM 199 C   61 10.1016/0166-1280(89)80042-9
Mohan M.; Baluja K.L.; Hibbert A. Electron impact excitation of S VIII from its ground state (Journal of Physics B: Atomic Molecular Physics (1987) 20 (2565-2570)) 1989 Journal of Physics B: Atomic, Molecular and Optical Physics 22 5 511 807 10.1088/0953-4075/22/5/511
Mohan M.; Baluja K.L.; Hibbert A. Electron-impact excitation of ti xiv from its ground state using r-matrix method 1989 Physica Scripta 40 1   53 10.1088/0031-8949/40/1/006
Bell K.L.; Burke P.G.; Hibbert A. et al. Photoionisation of the 2p4 3P, 1D, 1S states of atomic oxygen 1989 Journal of Physics B: Atomic, Molecular and Optical Physics 22 20 12 3197 10.1088/0953-4075/22/20/012
Fischer C.F. Correlation in negative ions 1989 Physica Scripta 40 1   25 10.1088/0031-8949/40/1/004
Fischer C.F.; Hansen J.E.; Judd B.R. Interpretation by orthogonal operators of Hartree-Fock analyses for Fe VI 3d24p 1988 Journal of the Optical Society of America B: Optical Physics 5 12   2446 10.1364/JOSAB.5.002446
Sienkiewicz J.E.; Baylis W.E. The polarisation of electrons elastically scattered from argon 1988 Journal of Physics B: Atomic, Molecular and Optical Physics 21 5 16 885 10.1088/0953-4075/21/5/016
Grant I.P.; Quiney H.M. Foundations of the Relativistic Theory of Atomic and Molecular Structure 1988 Advances in Atomic and Molecular Physics 23 C   37 10.1016/S0065-2199(08)60105-0
Hibbert A.; Tait J.H.; Summers H.P. et al. Septet transitions in neutral chromium 1988 Nuclear Inst. and Methods in Physics Research, B 31 1-2   276 10.1016/0168-583X(88)90429-6
Bell K.L.; Berrington K.A.; Hibbert A. Elastic scattering of electrons by krypton and the free-free absorption coefficient of Kr- 1988 Journal of Physics B: Atomic, Molecular and Optical Physics 21 24 19 4205 10.1088/0953-4075/21/24/019
Fischer C.F. Accurate oscillator strengths 1988 Nuclear Inst. and Methods in Physics Research, B 31 1-2   265 10.1016/0168-583X(88)90427-2
Mohan M.; Baluja K.L.; Hibbert A. Electron-impact excitation of Mg IV using the R-matrix method 1988 Physica Scripta 38 5   699 10.1088/0031-8949/38/5/008
Hibbert A.; Hansen J.E. Lifetimes of quartet states in Ar II 1988 Nuclear Inst. and Methods in Physics Research, B 31 1-2   273 10.1016/0168-583X(88)90428-4
Berrington K.A.; Burke P.G.; Hibbert A. et al. Electron impact excitation of Fe+ using the R-matrix method incorporating fine-structure effects 1988 Journal of Physics B: Atomic, Molecular and Optical Physics 21 2 17 339 10.1088/0953-4075/21/2/017
Laaksonen L.; Grant I.P.; Wilson S. The Dirac equation in the algebraic approximation. VI. Molecular self-consistent field studies using basis sets of Gaussian-type functions 1988 Journal of Physics B: Atomic, Molecular and Optical Physics 21 11 13 1969 10.1088/0953-4075/21/11/013
Bell K.L.; Hibbert A.; Berrington K.A. The free-free absorption coefficient of the negative carbon ion 1988 Journal of Physics B: Atomic, Molecular and Optical Physics 21 12 17 2319 10.1088/0953-4075/21/12/017
Froese Fischer C.; Scott N.S.; Yoo J. Multitasking the calculation of angular integrals on the CRAY-2 and CRAY X-MP 1988 Parallel Computing 8 1-3   385 10.1016/0167-8191(88)90143-3
Ojha P.C.; Keenan F.P.; Hibbert A. Oscillator strengths for transitions among the 3s2 and 3s3p levels of Si III 1988 Journal of Physics B: Atomic, Molecular and Optical Physics 21 14 2 L395 10.1088/0953-4075/21/14/002
Brage T.; Fischer F.C. The 1s2s2p2 5P-1s2p3 5S transition in Be I-like ions 1988 Journal of Physics B: Atomic, Molecular and Optical Physics 21 14 9 2563 10.1088/0953-4075/21/14/009
Hibbert A.; Froese Fischer C.; Godefroid M.R. Non-orthogonal orbitals in MCHF or configuration interaction wave functions 1988 Computer Physics Communications 51 3   285 10.1016/0010-4655(88)90141-5
Hibbert A. Transitions in P II 1988 Physica Scripta 38 1   37 10.1088/0031-8949/38/1/006
Saha H.P.; Froese-Fischer C.; Langhoff P.W. Numerical multiconfiguration Hartree-Fock studies of atomic photoionization cross sections: Dynamical core-polarization effects in atomic sodium 1988 Physical Review A 38 3   1279 10.1103/PhysRevA.38.1279
Vaeck N.; Godefroid M.; Hansen J.E. Multiconfiguration Hartree-Fock calculations for singlet terms in neutral strontium 1988 Physical Review A 38 6   2830 10.1103/PhysRevA.38.2830
Mohan M.; Baluja K.L.; Hibbert A. Electron impact excitation of S VIII from its ground state 1987 Journal of Physics B: Atomic and Molecular Physics 20 11 23 2565 10.1088/0022-3700/20/11/023
Thornbury J.F.; Hibbert A. Atomic data for opacity calculations. VI. Static dipole polarisabilities of the ground states of the helium sequence 1987 Journal of Physics B: Atomic and Molecular Physics 20 23 31 6447 10.1088/0022-3700/20/23/031
Froese Fischer C. The 2p-3s transitions in atomic oxygen 1987 Journal of Physics B: Atomic and Molecular Physics 20 6 8 1193 10.1088/0022-3700/20/6/008
Kingston A.E.; Tiwary S.N.; Hibbert A. Energy levels of resonance states of Ni II, III, IV, V and VI 1987 Journal of Physics B: Atomic and Molecular Physics 20 15 34 3907 10.1088/0022-3700/20/15/034
Grant I.P. On the relativistic electron-electron interaction 1987 Journal of Physics B: Atomic and Molecular Physics 20 22 2 L735 10.1088/0022-3700/20/22/002
Hibbert A.; Bell K.L.; Berrington K.A. The atomic polarisability of krypton and xenon 1987 Journal of Physics B: Atomic and Molecular Physics 20 12 1 L349 10.1088/0022-3700/20/12/001
Mohan M.; Baluja K.L.; Hibbert A. et al. Electron impact excitation of Fe XVIII from its ground state 1987 Journal of Physics B: Atomic and Molecular Physics 20 23 23 6319 10.1088/0022-3700/20/23/023
Brage T.; Nilsson A.E.; Johansson S. et al. Accidental degeneracy of doubly excited states in Fe II 1987 Journal of Physics B: Atomic and Molecular Physics 20 6 5 1153 10.1088/0022-3700/20/6/005
Norrington P.H.; Grant I.P. Low-energy electron scattering by Fe XXIII and Fe VII using the Dirac R-matrix method 1987 Journal of Physics B: Atomic and Molecular Physics 20 18 23 4869 10.1088/0022-3700/20/18/023
Sienkiewicz J.E.; Baylis W.E. A relativistic approach to the elastic scattering of electrons by argon 1987 Journal of Physics B: Atomic and Molecular Physics 20 19 24 5145 10.1088/0022-3700/20/19/024
Hibbert A. Accurate wavefunctions for 2S and 2P0 states in Ar II 1987 Journal of Physics B: Atomic and Molecular Physics 20 8 2 L245 10.1088/0022-3700/20/8/002
Godefroid M.; Lievin J.; Metz J.Y. Brillouin’s theorem for complex atomic configurations 1987 Journal of Physics B: Atomic and Molecular Physics 20 14 4 3283 10.1088/0022-3700/20/14/004
Fischer C.F.; Lagowski J.B.; Vosko S.H. Ground states of Ca- and Sc- from two theoretical points of view 1987 Physical Review Letters 59 20   2263 10.1103/PhysRevLett.59.2263
Keenan F.P.; Mohan M.; Baluja K.L. et al. Electron density sensitive line ratios for Fe XVIII in tokamak plasmas 1987 Physics Letters A 122 3-4   170 10.1016/0375-9601(87)90799-7
Godefroid M.; Lievin J.; Metz J.Y. Inversion of the fractional parentage matrix 1987 Journal of Physics A: Mathematical and General 20 7   1645 10.1088/0305-4470/20/7/011
Czuchaj E.; Sienkiewicz J.; Miklaszewski W. Non-local pseudopotentials for electron-rare gas atom interaction 1987 Chemical Physics 116 1   69 10.1016/0301-0104(87)80069-1
Morrison J.C.; Fischer C.F. Multiconfiguration Hartree-Fock method and many-body perturbation theory: A unified approach 1987 Physical Review A 35 6   2429 10.1103/PhysRevA.35.2429
Waddington W.G.; Rez P.; Grant I.P. et al. Erratum: White lines in the L2,3 electron-energy-loss and x-ray absorption spectra of 3d transition metals (Physical Review B (1986) 34, (1467)) 1987 Physical Review B 35 10   5297 10.1103/PhysRevB.35.5297
Mohan M.; Hibbert A. Model-potential calculations for low-lying states of mercury 1987 Journal of Physics B: Atomic and Molecular Physics 20 5 11 907 10.1088/0022-3700/20/5/011
Quiney H.M.; Grant I.P.; Wilson S. The dirac equation in the algebraic approximation 1987 Physica Scripta 36 3   460 10.1088/0031-8949/36/3/013
Quiney H.M.; Grant I.P.; Wilson S. The Dirac equation in the algebraic approximation. V. Self-consistent field studies including the Breit interaction 1987 Journal of Physics B: Atomic and Molecular Physics 20 7 10 1413 10.1088/0022-3700/20/7/010
Mannervik S.; Cederquist H.; Martinson I. et al. 1s2s2p2 p35 S5 transition in B ii 1987 Physical Review A 35 7   3136 10.1103/PhysRevA.35.3136
Fischer C.F. Perturbers in the (2D)nd 3Po Rydberg series of sulphur 1987 Journal of Physics B: Atomic and Molecular Physics 20 17 16 4365 10.1088/0022-3700/20/17/016
Gaigalas G.A.; Merkelis G.V. Application of the method of irreducible tensorial operators to study the expansion of stationary perturbation theory 1987 Acta Physica Hungarica 61 1   111 10.1007/BF03053831
Brage T.; Litzen U. Nickel-like 4s-4p transitions and energy levels in zr xiii, nb xiv and mo xv 1987 Physica Scripta 35 5   662 10.1088/0031-8949/35/5/008
Hibbert A.; Keenan F.P. Oscillator strengths for intercombination and forbidden transitions amongst the 3s2 and 3s3p levels in Al II 1987 Journal of Physics B: Atomic and Molecular Physics 20 18 10 4693 10.1088/0022-3700/20/18/010
Froese Fischer C. General Hartree-Fock program 1987 Computer Physics Communications 43 3   355 10.1016/0010-4655(87)90053-1
Brage T.; Froese Fischer C.; Carlsson J. et al. Lifetimes and oscillator strength trends for the 4s2nd D2 series of Ga i 1987 Physical Review A 35 3   1113 10.1103/PhysRevA.35.1113
Saha H.P.; Froese Fischer C. Multiconfiguration Hartree-Fock calculations of the oscillator strength for the 2s2p p21,2snd D1 (n=36) transitions in beryllium 1987 Physical Review A 35 12   5240 10.1103/PhysRevA.35.5240
Kleiner I.; Godefroid M.; Herman M. et al. Infrared laser Stark spectrum of HNO3 at 6 μm 1987 Journal of the Optical Society of America B: Optical Physics 4 7   1159 10.1364/JOSAB.4.001159
Brage T.; Engström L.; Froese Fischer C. Correlation in the 2snd Rydberg series of F vi 1986 Physical Review A 34 5   4399 10.1103/PhysRevA.34.4399
Das B.P.; Grant I.P. Multiconfiguration Dirac-Fock approach to the fine structure splitting in the 3s3p configuration of the magnesium sequence 1986 Journal of Physics B: Atomic and Molecular Physics 19 1 2 L7 10.1088/0022-3700/19/1/002
Grant I.P. Variational methods for Dirac wave equations 1986 Journal of Physics B: Atomic and Molecular Physics 19 20 3 3187 10.1088/0022-3700/19/20/003
Fischer C.F. Self-consistent-field (SCF) and multiconfiguration (MC) Hartree-Fock (HF) methods in atomic calculations: Numerical integration approaches 1986 Computer Physics Reports 3 5   274 10.1016/0167-7977(86)90001-8
Fischer C.F.; Godefroid M. Multi-configuration Hartree-Fock plus Breit-Pauli results for some forbidden transitions 1986 Journal of Physics B: Atomic and Molecular Physics 19 2 4 137 10.1088/0022-3700/19/2/004
Carlsson J.; Lundberg H.; Peng W.X. et al. Experimental and theoretical investigation of radiative lifetimes in neutral gallium 1986 Zeitschrift für Physik D Atoms, Molecules and Clusters 3 4   345 10.1007/BF01437190
Froese Fischer C.; Liu B. Energy levels, lifetimes, wavelengths, and transition probabilities of Fe XIV 1986 Atomic Data and Nuclear Data Tables 34 2   261 10.1016/0092-640X(86)90004-5
Waddington W.G.; Rez P.; Grant I.P. et al. White lines in the L2,3 electron-energy-loss and x-ray absorption spectra of 3d transition metals 1986 Physical Review B 34 3   1467 10.1103/PhysRevB.34.1467
Baluja K.L.; Hibbert A.; Mohan M. Electron impact excitation of Fe II using the R-matrix method 1986 Journal of Physics B: Atomic and Molecular Physics 19 21 23 3613 10.1088/0022-3700/19/21/023
Fischer C.F. Energy levels and lifetimes for some core-excited quartet states in Na i and Mg ii 1986 Physical Review A 34 3   1667 10.1103/PhysRevA.34.1667
Hibbert A. Oscillator strength of 3P-3Po transitions in P II 1986 Journal of Physics B: Atomic and Molecular Physics 19 12 2 L455 10.1088/0022-3700/19/12/002
Hata J.; Cooper D.L.; Grant I.P. Inclusion of the electron anomaly in effective Hamiltonians for perturbative (Breit-Pauli) and non-perturbative approaches to fine structure 1985 Journal of Physics B: Atomic and Molecular Physics 18 10 9 1907 10.1088/0022-3700/18/10/009
Fischer C.F.; Hansen J.E. MCHF calculations for 1S and 1P Rydberg states in Ca I 1985 Journal of Physics B: Atomic and Molecular Physics 18 20 7 4031 10.1088/0022-3700/18/20/007
Grant I.P. Relativistic atomic structure calculations for highly ionized atoms 1985 Nuclear Inst. and Methods in Physics Research, B 9 4   471 10.1016/0168-583X(85)90349-0
Fischer C.F.; Saha H.P. Multiconfiguration hartree-fock results with breit-pauli corrections for transitions in the carbon sequence 1985 Physica Scripta 32 3   181 10.1088/0031-8949/32/3/004
Cooper D.L.; Hata J.; Grant I.P. Erratum: On the accuracy of the Breit-Pauli approximation for fine-structure intervals in light atoms: significance for molecular calculations (Journal of Physics B: Atomic and Molecular Physics (1984) 17 (L499-L503)) 1985 Journal of Physics B: Atomic and Molecular Physics 18 24 519 4805 10.1088/0022-3700/18/24/519
Quiney H.M.; Grant I.P.; Wilson S. The Dirac equation in the algebraic approximation. III. Diagrammatic perturbation theory applied to a model problem 1985 Journal of Physics B: Atomic and Molecular Physics 18 14 5 2805 10.1088/0022-3700/18/14/005
Plummer E.P.; Grant I.P. A multiconfiguration Dirac-Fock calculation of parity non-conservation in atoms 1985 Journal of Physics B: Atomic and Molecular Physics 18 11 2 L315 10.1088/0022-3700/18/11/002
Cooper D.L.; Hata J.; Grant I.P. Fine-structure splittings in the boron and fluorine isoelectronic sequences: comparison of perturbative (Breit-Pauli) and non-perturbative (MCDF-EAL) predictions 1985 Journal of Physics B: Atomic and Molecular Physics 18 6 8 1081 10.1088/0022-3700/18/6/008
Wood J.; Grant I.P.; Wilson S. The Dirac equation in the algebraic approximation. IV. Application of the partitioning technique 1985 Journal of Physics B: Atomic and Molecular Physics 18 15 11 3027 10.1088/0022-3700/18/15/011
Quiney H.M.; Grant I.P.; Wilson S. Diagrammatic perturbation theory: A comparison of numerical methods with basis set expansion techniques for a model problem 1985 Journal of Physics B: Atomic and Molecular Physics 18 4 6 577 10.1088/0022-3700/18/4/006
Godefroid M.; Froese Fischer C. Relativistic and correlation effects on the lifetimes of 3s4p3p°j levels in mg-like sulphur and chlorine 1985 Physica Scripta 31 4   237 10.1088/0031-8949/31/4/004
Baluja K.L.; Hibbert A. Energies and oscillator strengths for allowed transitions in S V, Cl VI and Fe XV 1985 Nuclear Inst. and Methods in Physics Research, B 9 4   477 10.1016/0168-583X(85)90350-7
Godefroid M.; Magnusson C.E.; Zetterberg P.O. et al. Forbidden transitions in na− and mg-like spectra 1985 Physica Scripta 32 2   125 10.1088/0031-8949/32/2/006
Dyall K.G.; Grant I.P. The Kβ x-ray emission spectrum of argon: A theoretical account 1984 Journal of Physics B: Atomic and Molecular Physics 17 7 14 1281 10.1088/0022-3700/17/7/014
Grant I.P. Relativistic atomic structure theory: Some recent work 1984 International Journal of Quantum Chemistry 25 1   23 10.1002/qua.560250104
Cooper D.L.; Hata J.; Grant I.P. On the accuracy of the Breit-Pauli approximation for fine-structure intervals in light atoms: Significance for molecular calculations 1984 Journal of Physics B: Atomic and Molecular Physics 17 15 3 L499 10.1088/0022-3700/17/15/003
Fischer C.F. Low-lying D1 states of Be I 1984 Physical Review A 30 5   2741 10.1103/PhysRevA.30.2741
Laaksonen L.; Grant I.P. Two-dimensional fully numerical solutions of molecular Dirac equations. One-electron molecules 1984 Chemical Physics Letters 109 5   485 10.1016/0009-2614(84)80348-6
Laaksonen L.; Grant I.P. Two-dimensional fully numerical solutions of molecular dirac equations. Results for ground singlet states of H2 and HeH+ 1984 Chemical Physics Letters 112 2   157 10.1016/0009-2614(84)85012-5
Das B.P.; Hata J.; Grant I.P. Ground-state fine structure in the boron isoelectronic sequence 1984 Journal of Physics B: Atomic and Molecular Physics 17 1 1 L1 10.1088/0022-3700/17/1/001
Dyall K.G.; Grant I.P.; Wilson S. The Dirac equation in the algebraic approximation. I. Criteria for the choice of basis functions and minimum basis set calculations for hydrogenic atoms 1984 Journal of Physics B: Atomic and Molecular Physics 17 2 1 L45 10.1088/0022-3700/17/2/001
Fon W.C.; Berrington K.A.; Hibbert A. The elastic scattering of electrons from inert gases. IV. Krypton 1984 Journal of Physics B: Atomic and Molecular Physics 17 16 11 3279 10.1088/0022-3700/17/16/011
Hata J.; Grant I.P. Comments on relativistic two-body interaction in atoms 1984 Journal of Physics B: Atomic and Molecular Physics 17 5 1 L107 10.1088/0022-3700/17/5/001
Froese Fischer C.; Saha H.P. MCHF+BP results for electric dipole transitions in the oxygen isoelectronic sequence 1984 Journal of Physics B: Atomic and Molecular Physics 17 6 9 943 10.1088/0022-3700/17/6/009
Reistad N.; Brage T.; Ekberg J.O. et al. J-Dependent 3s4p 3PJ lifetimes in mg-like sulphur and chlorine 1984 Physica Scripta 30 4   249 10.1088/0031-8949/30/4/006
Hata J.; Grant I.P. Tests of QED in two-electron ions. IV. A status report 1984 Journal of Physics B: Atomic and Molecular Physics 17 6 8 931 10.1088/0022-3700/17/6/008
Czuchaj E.; Sienkiewicz J. Pseudopotential calculation of the adiabatic potentials and oscillator strengths of cadmium-rare-gas pairs 1984 Journal of Physics B: Atomic and Molecular Physics 17 11 19 2251 10.1088/0022-3700/17/11/019
Freitas L.C.G.; Berrington K.A.; Burke P.G. et al. An eleven-state electron-helium scattering calculation 1984 Journal of Physics B: Atomic and Molecular Physics 17 9 7 L303 10.1088/0022-3700/17/9/007
Tayal S.S.; Hibbert A. Oscillator strengths and series perturbations in Al II 1984 Journal of Physics B: Atomic and Molecular Physics 17 19 7 3835 10.1088/0022-3700/17/19/007
Dyall K.G.; Grant I.P.; Wilson S. The Dirac equation in the algebraic approximation. II. Extended basis set calculations for hydrogenic atoms 1984 Journal of Physics B: Atomic and Molecular Physics 17 7 9 1201 10.1088/0022-3700/17/7/009
Lengyel V.I.; Navrotsky V.T.; Sabad E.P. et al. Energies of the 4snp 1,3P0 autoionising states of the magnesium atom 1984 Journal of Physics B: Atomic and Molecular Physics 17 14 2 L465 10.1088/0022-3700/17/14/002
Czuchaj E.; Sienkiewicz J. Improved Pseudopotential Calculations of the Adiabatic Potentials and Oscillator Strengths of Tl-Heavy Noble Gas Systems 1984 Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences 39 6   513 10.1515/zna-1984-0601
Dyall K.G.; Grant I.P.; Wilson S. Matrix representation of operator products 1984 Journal of Physics B: Atomic and Molecular Physics 17 4 6 493 10.1088/0022-3700/17/4/006
Godefroid M.; Fischer C.F. MCHF-BP fine-structure splittings and transition rates for the ground configuration in the nitrogen sequence 1984 Journal of Physics B: Atomic and Molecular Physics 17 5 8 681 10.1088/0022-3700/17/5/008
Hata J.; Grant I.P. The 1s2s2p2 5P-1s2p3 5S transitions in the beryllium isoelectronic sequence 1983 Journal of Physics B: Atomic and Molecular Physics 16 5 2 L125 10.1088/0022-3700/16/5/002
Hata J.; Grant I.P. Tests of QED in two-electron ions. III. α6mc2 corrections 1983 Journal of Physics B: Atomic and Molecular Physics 16 12 1 L369 10.1088/0022-3700/16/12/001
Fon W.C.; Berrington K.A.; Burke P.G. et al. The elastic scattering of electrons from inert gases. III. Argon 1983 Journal of Physics B: Atomic and Molecular Physics 16 2 18 307 10.1088/0022-3700/16/2/018
Cheng K.T.; Fischer C.F. Collapse of the 4f orbital for Xe-like ions 1983 Physical Review A 28 5   2811 10.1103/PhysRevA.28.2811
Hata J.; Grant I.P. The 23S-23PJ, J=0, 1, 2 intervals in neutral helium 1983 Journal of Physics B: Atomic and Molecular Physics 16 15 2 L433 10.1088/0022-3700/16/15/002
Fischer C.F.; Smentek-Mielczarek L. MCHF evaluation of the specific mass shift 1983 Journal of Physics B: Atomic and Molecular Physics 16 19 8 3479 10.1088/0022-3700/16/19/008
Hata J.; Grant I.P.; Das B.P. Comments on fine-structure intervals of the 1s22s 22p5 2P state in fluorine isoelectronic sequence 1983 Journal of Physics B: Atomic and Molecular Physics 16 7 2 L189 10.1088/0022-3700/16/7/002
Hata J.; Grant I.P. Tests of QED in two-electron ions. I. Methodology and 23P fine structure 1983 Journal of Physics B: Atomic and Molecular Physics 16 4 6 507 10.1088/0022-3700/16/4/006
Hata J.; Grant I.P. The representation of higher-order relativistic corrections in the MCDF-EAL method 1983 Journal of Physics B: Atomic and Molecular Physics 16 20 8 3713 10.1088/0022-3700/16/20/008
Froese Fischer C. Multiconfiguration Hartree-Fock Breit-Pauli results for 2P 1/2-2P3/2 transitions in the boron sequence 1983 Journal of Physics B: Atomic and Molecular Physics 16 2 5 157 10.1088/0022-3700/16/2/005
Hata J.; Grant I.P. Tests of QED in two-electron ions. II. the 23S-2 3P0,1,2 energies 1983 Journal of Physics B: Atomic and Molecular Physics 16 4 7 523 10.1088/0022-3700/16/4/007
Tiwary S.N.; Kingston A.E.; Hibbert A. Excitation energies and oscillator strengths for the 3p63d 2D to 3p53d22P0, 2D 0, 2F0 transitions in Sc2+, Ti 3+ and V4+ 1983 Journal of Physics B: Atomic and Molecular Physics 16 14 8 2457 10.1088/0022-3700/16/14/008
Fischer C.F.; Saha H.P. Multiconfiguration hartree-fock results with breit-pauli corrections for forbidden transitions in the 2p4 configuration 1983 Physical Review A 28 6   3169 10.1103/PhysRevA.28.3169
Scott P.; Kingston A.E.; Hibbert A. Photoionisation of neutral calcium 1983 Journal of Physics B: Atomic and Molecular Physics 16 21 14 3945 10.1088/0022-3700/16/21/014
Hata J.; Grant I.P. Fine structure of the 1s2s2p 4P degrees and 1s2p2 4P terms of the lithium isoelectronic sequence and wavelengths of transitions between them 1983 Journal of Physics B: Atomic and Molecular Physics 16 6 8 915 10.1088/0022-3700/16/6/008
Agentoft M.; Andersen T.; Fischer C.F. et al. Photon Emission from Core-Excited Be I and Be II States 1983 Physica Scripta 28 1   45 10.1088/0031-8949/28/1/006
Godefroid M. Note on the mutual spin-orbit matrix elements 1982 Journal of Physics B: Atomic and Molecular Physics 15 20 8 3583 10.1088/0022-3700/15/20/008
Pyper N.C.; Rose S.J.; Grant I.P. Analysis of fine-structure excitation energies in Dirac-Fock and perturbation theories 1982 Journal of Physics B: Atomic and Molecular Physics 15 9 9 1319 10.1088/0022-3700/15/9/009
Fischer C.F.; Cheng K.-T. A note on estimating the 1s3d 1D exact, non-relativistic total energy for helium 1982 Journal of Physics B: Atomic and Molecular Physics 15 3 16 337 10.1088/0022-3700/15/3/016
Fischer C.F.; Godefroid M. Short-range interactions involving plunging configurations of the n=3 singlet complex in the mg sequence 1982 Physica Scripta 25 2   394 10.1088/0031-8949/25/2/024
Hibbert A. Transitions in the cadmium sequence 1982 Nuclear Instruments and Methods In Physics Research 202 1-2   323 10.1016/0167-5087(82)90412-4
Fischer C.F.; Godefroid M. Lifetime trends for the n=3 singlet states in the Mg sequence 1982 Nuclear Instruments and Methods In Physics Research 202 1-2   307 10.1016/0167-5087(82)90411-2
Hata J.; Grant I.P. Tests of quantum electrodynamics for two-electron ions 1982 Journal of Physics B: Atomic and Molecular Physics 15 16 1 L549 10.1088/0022-3700/15/16/001
Hibbert A. Model potentials in atomic structure 1982 Advances in Atomic and Molecular Physics 18 C   309 10.1016/S0065-2199(08)60244-4
Dyall K.G.; Grant I.P. Phase conventions, quasi-spin and the jj-LS transformation coefficients 1982 Journal of Physics B: Atomic and Molecular Physics 15 11 1 L371 10.1088/0022-3700/15/11/001
Scott N.S.; Hibbert A. A more efficient version of the weights and NJSYM packages 1982 Computer Physics Communications 28 2   189 10.1016/0010-4655(82)90054-6
Hibbert A. Oscillator strengths of the transition 3p63d2D→ 3p53d2 2P0 in the potassium isoelectronic sequence 1982 Journal of Physics B: Atomic and Molecular Physics 15 18 1 L643 10.1088/0022-3700/15/18/001
Fischer C.F. Correlation and the 5F-3F energy separation in Ti 1982 The Journal of Chemical Physics 76 4   1934 10.1063/1.443166
Hibbert A.; Kernahan J.A.; Pinnington E.H. et al. Identification of lines in xenon VI 1982 Nuclear Instruments and Methods In Physics Research 202 1-2   329 10.1016/0167-5087(82)90413-6
Grant I.P. Conditions for convergence of variational solutions of Dirac’s equation in a finite basis 1982 Physical Review A 25 2   1230 10.1103/PhysRevA.25.1230
Fischer C.F. Energy levels and lifetimes for some quartet states of Be II 1982 Physical Review A 26 5   2627 10.1103/PhysRevA.26.2627
Chung S.; Lin C.C.; Fischer C.F. et al. Transition probability of the 1S0→ 1D2 emission of atomic oxygen 1982 The Journal of Chemical Physics 76 1   498 10.1063/1.442751
Fon W.C.; Berrington K.A.; Hibbert A. The elastic scattering of electrons from inert gases. I. Helium 1981 Journal of Physics B: Atomic and Molecular Physics 14 2 14 307 10.1088/0022-3700/14/2/014
Hata J.; Grant I.P. MCDF calculations of wavelengths and radiative lifetimes in helium-like ions 1981 Journal of Physics B: Atomic and Molecular Physics 14 13 10 2111 10.1088/0022-3700/14/13/010
Fischer C.F. Lifetimes of low-lying2p0, 2d, and2f0 states of the al i isoelectronic sequence 1981 Physica Scripta 23 1   38 10.1088/0031-8949/23/1/006
Norrington P.H.; Grant I.P. Electron scattering from Ne II using the relativistic R-matrix method 1981 Journal of Physics B: Atomic and Molecular Physics 14 7 6 L261 10.1088/0022-3700/14/7/006
Fischer C.F.; Hansen J.E. Comparison of multichannel-quantum-defect theory and multiconfiguration-Hartree-Fock wave functions for alkaline-earth atoms 1981 Physical Review A 24 1   631 10.1103/PhysRevA.24.631
Hibbert A.; Bates D.R. Quantal calculation of the lifetime of N+(5S) and the λ2145 A ̊ auroral mystery feature 1981 Planetary and Space Science 29 2   263 10.1016/0032-0633(81)90039-8
Hibbert A. Atomic polarisabilities and polarised pseudostates in the multiconfigurational approach. III. Second-row atoms and ions 1980 Journal of Physics B: Atomic and Molecular Physics 13 19 9 3725 10.1088/0022-3700/13/19/009
Grant I.P. Many-electron effects in the theory of nuclear volume isotope shift 1980 Physica Scripta 21 3-4   443 10.1088/0031-8949/21/3-4/033
Grant I.P.; McKenzie B.J. The transverse electron-electron interaction in atomic structure calculations 1980 Journal of Physics B: Atomic and Molecular Physics 13 14 7 2671 10.1088/0022-3700/13/14/007
Godefroid M.; Verhaegen G. MCHF calculations of electric dipole and quadrupole oscillator strengths along the helium isoelectronic sequence 1980 Journal of Physics B: Atomic and Molecular Physics 13 16 7 3081 10.1088/0022-3700/13/16/007
Beatham N.; Grant I.P.; McKenzie B.J. et al. Spectroscopic studies with a multiconfiguration Dirac-Fock program 1980 Physica Scripta 21 3-4   423 10.1088/0031-8949/21/3-4/030
Grant I.P.; McKenzie B.J.; Norrington P.H. et al. An atomic multiconfigurational Dirac-Fock package 1980 Computer Physics Communications 21 2   207 10.1016/0010-4655(80)90041-7
Fischer C.F.; Glass R. The effect of correlation in the 3dn core on the resonance transition in Cu II 1980 Physica Scripta 21 3-4   525 10.1088/0031-8949/21/3-4/046
Fischer C.F. Oscillator-strength trends in the presence of level crossings 1980 Physical Review A 22 2   551 10.1103/PhysRevA.22.551
Hibbert A. Transitions in O v 1980 Journal of Physics B: Atomic and Molecular Physics 13 9 7 1721 10.1088/0022-3700/13/9/007
Biemont E.; Godefroid M. Outer correlation MCHF wavefunctions and oscillator strengths along the zinc isoelectronic sequence 1980 Physica Scripta 22 3   231 10.1088/0031-8949/22/3/009
Fischer C.F. Theoretical energy levels of 3F0 rydberg series for Mg I, Al II, and Si III 1980 Physica Scripta 21 3-4   466 10.1088/0031-8949/21/3-4/037
McKenzie B.J.; Grant I.P.; Norrington P.H. A program to calculate transverse Breit and QED corrections to energy levels in a multiconfiguration Dirac-Fock environment 1980 Computer Physics Communications 21 2   233 10.1016/0010-4655(80)90042-9
Baluja K.L.; Hibbert A. Oscillator strengths for Si III 1980 Journal of Physics B: Atomic and Molecular Physics 13 11 1 L327 10.1088/0022-3700/13/11/001
Czuchaj E.; Sienkiewicz J. Adiabatic Potentials of the Alkali-Rare Gas Atom Pairs 1979 Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences 34 6   694 10.1515/zna-1979-0604
Beatham N.; Cox P.A.; Orchard A.F. et al. Final-state intensities in photoelectron spectra of 4f electrons as predicted by relativistic calculations 1979 Chemical Physics Letters 63 1   69 10.1016/0009-2614(79)80458-3
Fischer C.F.; Hansen J.E. 4s4d D1-4p2 D1 interaction in the Zn I isoelectronic sequence 1979 Physical Review A 19 5   1819 10.1103/PhysRevA.19.1819
Hibbert A. The 2s3p 3P1-2s2 1S0 intercombination line in the beryllium sequence 1979 Journal of Physics B: Atomic and Molecular Physics 12 22 2 L661 10.1088/0022-3700/12/22/002
Beatham N.; Grant I.P.; McKenzie B.J. et al. MCBP - A program to calculate angular coefficients of the breit interaction between electrons in the low energy limit 1979 Computer Physics Communications 18 2   245 10.1016/0010-4655(79)90116-4
Grant I.P. Relativistic atomic structure calculations 1979 Computer Physics Communications 17 1-2   149 10.1016/0010-4655(79)90077-8
Connerade J.P.; Rose S.J.; Grant I.P. Two-step autoionisation and the double ionisation anomaly in Ba I 1979 Journal of Physics B: Atomic and Molecular Physics 12 2 4 L53 10.1088/0022-3700/12/2/004
Fischer C.F.; Hansen J.E. Theoretical oscillator strengths for the resonance transitions in the Zni isoelectronic sequence 1978 Physical Review A 17 6   1956 10.1103/PhysRevA.17.1956
Rose S.J.; Grant I.P.; Pyper N.C. Studies in multiconfiguration Dirac-Fock theory. IV. the low-lying spectrum of bismuth I 1978 Journal of Physics B: Atomic and Molecular Physics 11 20 13 3499 10.1088/0022-3700/11/20/013
Pyper N.C.; Grant I.P. Studies in multiconfiguration Dirac-Fock theory. Part 3. - Interpretation of the electronic structure of neutral and ionized states of uranium 1978 Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics 74     1885 10.1039/F29787401885
Froese Fischer C. Numerical solution of general Hartree-Fock equations for atoms 1978 Journal of Computational Physics 27 2   221 10.1016/0021-9991(78)90006-2
Froese Fischer C. A general multi-configuration Hartree-Fock program 1978 Computer Physics Communications 14 1-2   145 10.1016/0010-4655(78)90057-7
Pyper N.C.; Grant I.P. RELATION BETWEEN SUCCESSIVE ATOMIC IONIZATION POTENTIALS. 1978 Proc R Soc London Ser A 359 1699   525 10.1098/rspa.1978.0054
Glass R.; Hibbert A. The use of Breit interaction: The 3P1 to 1S0 intercombination line in beryllium-like systems 1978 Journal of Physics B: Atomic and Molecular Physics 11 14 6 2413 10.1088/0022-3700/11/14/006
Pyper N.C.; Grant I.P.; Beatham N. A new program for calculating matrix elements of one-particle operators in jj-coupling 1978 Computer Physics Communications 15 5   387 10.1016/0010-4655(78)90068-1
Godefroid M. An adaptation of acrz to calculate electric quadrupole oscillator strengths 1978 Computer Physics Communications 15 3-4   275 10.1016/0010-4655(78)90097-8
Fischer C.F.; Ridder D. Levels of 2p53p5 in Ar2+ 1978 Journal of Physics B: Atomic and Molecular Physics 11 13 10 2267 10.1088/0022-3700/11/13/010
Glass R.; Hibbert A. The hyperfine structure of the ground states of first-row atoms 1978 Journal of Physics B: Atomic and Molecular Physics 11 13 9 2257 10.1088/0022-3700/11/13/009
Cornille M.; Hibbert A.; Moser C. et al. Calculations of electron affinities of first-row atoms 1978 Physical Review A 17 4   1245 10.1103/PhysRevA.17.1245
Glass R.; Hibbert A. Relativistic effects in many electron atoms 1978 Computer Physics Communications 16 1   19 10.1016/0010-4655(78)90105-4
Rose S.J.; Grant I.P.; Pyper N.C. The direct and indirect effects in the relativistic modification of atomic valence orbitals 1978 Journal of Physics B: Atomic and Molecular Physics 11 7 16 1171 10.1088/0022-3700/11/7/016
Rose S.J.; Pyper N.C.; Grant I.P. Studies in multiconfiguration Dirac-Fock theory. II. The even-parity low-lying spectrum of Ba I 1978 Journal of Physics B: Atomic and Molecular Physics 11 5 10 755 10.1088/0022-3700/11/5/010
Hibbert A. Recent advances in the calculation of oscillator strengths 1977 Physica Scripta 16 1-2   7 10.1088/0031-8949/16/1-2/001
Hibbert A.; Le Dourneuf M.; Lan Vo.Ky. Atomic polarizabilities and polarized pseudo-states in the multiconfigurational approach. II. First row atoms and ions 1977 Journal of Physics B: Atomic and Molecular Physics 10 6 12 1015 10.1088/0022-3700/10/6/012
Fischer C.F. Hartree-Fock calculations for atoms with inner-shell vacancies 1977 Physical Review Letters 38 19   1075 10.1103/PhysRevLett.38.1075
Godefroid M.; Berger J.J.; Verhaegen G. Multiconfigurational transition state calculations of atomic oscillator strengths. The resonance transition of beryllium 1977 International Journal of Quantum Chemistry 12 11 S   119 10.1002/qua.560120817
Grant I.P.; Pyper N.C. Theoretical chemistry of superheavy elements E116 and E114 [6] 1977 Nature 265 5596   715 10.1038/265715a0
Pyper N.C.; Grant I.P.; Gerber R.B. Relativistic effects on interactions between heavy atoms: the HgHg potential 1977 Chemical Physics Letters 49 3   479 10.1016/0009-2614(77)87019-X
Pyper N.C.; Grant I.P. On the interpretation of Hund’s rules in atomic spectra 1977 Journal of Physics B: Atomic and Molecular Physics 10 10 11 1803 10.1088/0022-3700/10/10/011
Fischer C.F. Oscillator strengths for 2S-2P transitions in the copper sequence 1977 Journal of Physics B: Atomic and Molecular Physics 10 7 13 1241 10.1088/0022-3700/10/7/013
Grant I.P.; Whitehead M.A. A plain man’s view of the muffin-tin approximation in molecular calculations, and the solid state 1976 Molecular Physics 32 4   1181 10.1080/00268977600102571
Glass R.; Hibbert A. Adaptation of CIV3 to evaluate hyperfine structure 1976 Computer Physics Communications 11 1   125 10.1016/0010-4655(76)90044-8
Godefroid M.; Berger J.J.; Verhaegen G. A priori calculation of atomic oscillator strengths using correlated transition states 1976 Journal of Physics B: Atomic and Molecular Physics 9 13 7 2181 10.1088/0022-3700/9/13/007
Fischer C.F.; Carley J.S. The effect of electron correlation on the charge density at the iron nucleus 1976 Journal of Physics B: Atomic and Molecular Physics 9 1 4 29 10.1088/0022-3700/9/1/004
Crossley R.J.S.; Curtis L.J.; Froese Fischer C. Discrepancies between theoretical and experimental atomic oscillator strengths of the sodium isoelectronic sequence resonance transition 1976 Physics Letters A 57 3   220 10.1016/0375-9601(76)90042-6
Grant I.P. A program to calculate angular momentum coefficients in relativistic atomic structure - revised version 1976 Computer Physics Communications 11 3   397 10.1016/0010-4655(76)90026-6
Hibbert A. Erratum: Developments in atomic structure calculations( Reports on Progress in Physics (1975) 38 (1217-338)) 1976 Reports on Progress in Physics 39 9 503 909 10.1088/0034-4885/39/9/503
Glass R.; Hibbert A. The hyperfine structure of the 1s22p 2P state of lithium 1976 Journal of Physics B: Atomic and Molecular Physics 9 6 10 875 10.1088/0022-3700/9/6/010
Grant I.P.; Pyper N.C. Breit interaction in multi-configuration relativistic atomic calculations 1976 Journal of Physics B: Atomic and Molecular Physics 9 5 19 761 10.1088/0022-3700/9/5/019
Fischer C.F. A z-dependent representation of the transition integral 1976 Physica Scripta 14 6   269 10.1088/0031-8949/14/6/004
Froese Fischer C.; Hansen J.E.; Barwell M. Ab initio results for v i and Cr i 1976 Journal of Physics B: Atomic and Molecular Physics 9 11 10 1841 10.1088/0022-3700/9/11/010
Grant I.P.; Mayers D.F.; Pyper N.C. Studies in multiconfiguration Dirac-Fock theory. I. the low-lying spectrum of Hf III 1976 Journal of Physics B: Atomic and Molecular Physics 9 16 13 2777 10.1088/0022-3700/9/16/013
Le Dourneuf M.; Vo Ky Lan; Hibbert A. Photoionization of ground-state nitrogen atoms 1976 Journal of Physics B: Atomic and Molecular Physics 9 12 5 L359 10.1088/0022-3700/9/12/005
Hibbert A. Oscillator strengths of transitions involving 2s3l3L states in the beryllium sequence 1976 Journal of Physics B: Atomic and Molecular Physics 9 16 15 2805 10.1088/0022-3700/9/16/015
Froese Fischer C.; Saxena K.M.S. A new version of AAKF (Reduced Tensor Matrix Elements) adapted to spectroscopic notation 1975 Computer Physics Communications 9 6   370 10.1016/0010-4655(75)90017-X
Froese Fischer C.; Saxena K.M.S. Oscillator strengths from numerical MCHF radial functions 1975 Computer Physics Communications 9 6   381 10.1016/0010-4655(75)90018-1
Fischer C.F.; Saxena K.M.S. Correlation study of Be 1s22s2p P1 by a separated-pair numerical multiconfiguration Hartree-Fock procedure 1975 Physical Review A 12 6   2281 10.1103/PhysRevA.12.2281
Hibbert A. CIV3 - A general program to calculate configuration interaction wave functions and electric-dipole oscillator strengths 1975 Computer Physics Communications 9 3   141 10.1016/0010-4655(75)90103-4
Grant I.P.; Starace A.F. Gauge invariance and radiative transition probabilities 1975 Journal of Physics B: Atomic and Molecular Physics 8 12 11 1999 10.1088/0022-3700/8/12/011
Fischer C.F. A correlation study of Li ground state by the MCHF procedure 1975 International Journal of Quantum Chemistry 9 2   273 10.1002/qua.560090208
Hibbert A. Developments in atomic structure calculations 1975 Reports on Progress in Physics 38 11 1 1217 10.1088/0034-4885/38/11/001
Hibbert A. Adaptation of a general program to calculate angular momentum integrals in atomic structure: Inclusion of the checking of the configuration data 1974 Computer Physics Communications 8 4   329 10.1016/0010-4655(74)90022-8
Fischer C.F.; Saxena K.M.S. Correlation study of Be 1s22s2 by a separated-pair numerical multiconfiguration Hartree-Fock procedure 1974 Physical Review A 9 4   1498 10.1103/PhysRevA.9.1498
Hibbert A. Adaptation of a general program to calculate angular momentum integrals in atomic structure: Inclusion of the one-electron part of the Hamiltonian 1974 Computer Physics Communications 7 6   318 10.1016/0010-4655(74)90029-0
Fischer C.F. A multiconfiguration hartree‐fock approach to atomic structure calculations 1974 International Journal of Quantum Chemistry 8 8 S   5 10.1002/qua.560080804
Grant I.P. Gauge invariance and relativistic radiative transitions 1974 Journal of Physics B: Atomic and Molecular Physics 7 12 7 1458 10.1088/0022-3700/7/12/007
Fischer C.F. The effect of correlation on the excitation probability Kr 4 p6→Rb+ 4 p5 5 p following β-decay 1974 Zeitschrift für Physik 266 3   161 10.1007/BF01668834
Thompson D.G.; Hibbert A.; Chandra N. Photoionization of the (3s, 3p:1P) state of magnesium 1974 Journal of Physics B: Atomic and Molecular Physics 7 11 17 1298 10.1088/0022-3700/7/11/017
Grant I.P.; Ellison D. A numerical treatment of one-dimensional models of radiative heat transfer in co-current tube furnaces 1974 IMA Journal of Applied Mathematics (Institute of Mathematics and Its Applications) 13 2   169 10.1093/imamat/13.2.169
Fischer C.F. Correlation effects important for accurate oscillator strengths 1974 Journal of Physics B: Atomic and Molecular Physics 7 4 2 L91 10.1088/0022-3700/7/4/002
Ellison D.; Grant I.P. A numerical method for solving the radiative transfer equation in two-dimensional X-Y geometry 1974 Computer Physics Communications 8 4   257 10.1016/0010-4655(74)90018-6
Hibbert A. Oscillator strengths of transitions in the beryllium sequence 1974 Journal of Physics B: Atomic and Molecular Physics 7 12 4 1417 10.1088/0022-3700/7/12/004
Froese Fischer C. Average-energy-of-configuration Hartree-Fock results for the atoms helium to radon 1973 Atomic Data and Nuclear Data Tables 12 1   87 10.1016/0092-640X(73)90014-4
Grant I.P. A program to calculate a general recoupling coefficient 1973 Computer Physics Communications 5 2   161 10.1016/0010-4655(73)90032-5
Froese Fischer C. Oscillator strengths for 3dn4s → 3dn4p transitions in the iron series 1973 Journal of Quantitative Spectroscopy and Radiative Transfer 13 3   201 10.1016/0022-4073(73)90134-9
Peraiah A.; Grant I.P. Numerical solution of the radiative transfer equation in spherical shells 1973 IMA Journal of Applied Mathematics (Institute of Mathematics and Its Applications) 12 1   75 10.1093/imamat/12.1.75
Fischer C.F.; Prentice D.W.B. Exact evaluation of slater integrals using ALTRAN, a symbol manipulation language 1973 Computer Physics Communications 6 4   157 10.1016/0010-4655(73)90097-0
Fischer C.F. A critical review of programs in atomic structure for bound states 1973 Computer Physics Communications 5 2   147 10.1016/0010-4655(73)90030-1
Hibbert A. Oscillator strengths in the beryllium sequence 1973 Journal of Physics B: Atomic and Molecular Physics 6 6 1 L127 10.1088/0022-3700/6/6/001
Froese Fischer C. The solution of Schrödinger’s equation for two-electron systems by an MCHF procedure 1973 Journal of Computational Physics 13 4   502 10.1016/0021-9991(73)90030-2
Grant I.P. A general program to calculate angular momentum coefficients in relativistic atomic structure 1973 Computer Physics Communications 5 4   263 10.1016/0010-4655(73)90069-6
Fischer C.F. Brillouin’s theorem for excited (nl)q(n′l) q′ configurations 1973 Journal of Physics B: Atomic and Molecular Physics 6 10 9 1933 10.1088/0022-3700/6/10/009
Fischer C.F. Iterative solution of the Hartree-Fock equations with improved stability 1972 Journal of Computational Physics 10 2   211 10.1016/0021-9991(72)90061-7
Fischer C.F. Term dependence of Hartree-Fock results for some nln’l configurations 1972 Journal of Physics B: Atomic and Molecular Physics 5 7 7 1302 10.1088/0022-3700/5/7/007
Grant I.P. CFPJJ-Fractional parentage coefficients for equivalent electrons in jj-coupling 1972 Computer Physics Communications 4 3   377 10.1016/0010-4655(72)90100-2
Froese Fischer C. A multi-configuration Hartree-Fock program with improved stability 1972 Computer Physics Communications 4 1   107 10.1016/0010-4655(72)90039-2
Fischer C.F. Average-energy-of-configuration Hartree-Fock results for the atoms helium to radon charlotte froese fischer 1972 Atomic Data and Nuclear Data Tables 4 C   301 10.1016/S0092-640X(72)80008-1
Burke P.G.; Hibbert A.; Robb W.D. Wavefunctions and oscillator strengths of the beryllium iso-electronic sequence 1972 Journal of Physics B: Atomic and Molecular Physics 5 1 13 37 10.1088/0022-3700/5/1/013
Burke P.G.; Hibbert A.; Robb W.D. Electron scattering by complex atoms 1971 Journal of Physics B: Atomic and Molecular Physics 4 2 2 153 10.1088/0022-3700/4/2/002
Bagus P.S.; Hibbert A.; Moser C. Multiconfiguration Hartree-Fock calculations. IV. Calculations of the 2p3 and 2p4 isoelectronic series 1971 Journal of Physics B: Atomic and Molecular Physics 4 12 10 1611 10.1088/0022-3700/4/12/010
Grant I.P. Test programs 1971 Computer Physics Communications 2 6   383 10.1016/0010-4655(71)90031-2
Hibbert A. A new version of a general program to calculate angular momentum integrals in atomic structure 1971 Computer Physics Communications 2 4   180 10.1016/0010-4655(71)90051-8
Froese Fischer C. The deffered difference correction for the Numerov method 1971 Computer Physics Communications 2 2   124 10.1016/0010-4655(71)90022-1
Fischer C.F. A comparison of multi-configuration Hartree-Fock and configuration interaction results for the 1D series of Mg 1970 Journal of Physics B: Atomic and Molecular Physics 3 6 6 779 10.1088/0022-3700/3/6/006
Fischer C.F. Configuration interaction in the spin‐polarized hartree–fock approximation 1970 International Journal of Quantum Chemistry 5 4 S   95 10.1002/qua.560050708
Froese Fischer C. A multi-configuration Hartree-Fock program 1970 Computer Physics Communications 1 3   151 10.1016/0010-4655(70)90002-0
Grant I.P. Relativistic calculation of atomic structures 1970 Advances in Physics 19 82   747 10.1080/00018737000101191
Hibbert A. The magnetic hyperfine structure of the ground state of lithium and lithium-like ions 1970 Journal of Physics B: Atomic and Molecular Physics 3 5 2 585 10.1088/0022-3700/3/5/002
Hibbert A. A general program for calculating angular momentum integrals in atomic structure 1970 Computer Physics Communications 1 5   359 10.1016/0010-4655(70)90037-8
Grant I.P.; Hunt G.E. Erratum: Radiative transfer in a Rayleigh scattering atmosphere (Journal of Quantitative Spectroscopy and Radiative Transfer (1968) 8 (12)(1817–1832) (002240736890174x) (10.1016/0022-4073(68)90174-x)) 1969 Journal of Quantitative Spectroscopy and Radiative Transfer 9 5   720 10.1016/0022-4073(69)90019-3
Hibbert A.; Coulson C.A. Saddle-point character of hartree-fock energies 1969 Journal of Physics B: Atomic and Molecular Physics 2 4 304 458 10.1088/0022-3700/2/4/304
Hibbert A. Z-1/2 expansion of the unrestricted Hartree-Fock equations for the ground state of lithium 1968 Journal of Physics B: Atomic and Molecular Physics 1 6 306 1048 10.1088/0022-3700/1/6/306
Grant I.P. Numerical analysis of discrete ordinate methods 1968 Journal of Computational Physics 2 4   381 10.1016/0021-9991(68)90044-2
Fischer C.F. Configuration maxing in the Al sequence 1968 Journal of Quantitative Spectroscopy and Radiative Transfer 8 2   755 10.1016/0022-4073(68)90187-8
Grant I.P.; Hunt G.E. Solution of radiative transfer problems in planetary atmospheres 1968 Icarus 9 1-3   526 10.1016/0019-1035(68)90045-6
Grant I.P.; Hunt G.E. Radiative transfer in a rayleigh scattering atmosphere 1968 Journal of Quantitative Spectroscopy and Radiative Transfer 8 12   1817 10.1016/0022-4073(68)90174-X
Hibbert A. Saddle-point character of Hartree-Fock energies for helium-like ions 1968 Journal of Physics B: Atomic and Molecular Physics 1 3 309 402 10.1088/0022-3700/1/3/309
Hibbert A. Z-1/2 expansion of the unrestricted Hartree-Fock equations for the (1s)(1s’) 1S states of helium and helium-like ions: II 1967 Proceedings of the Physical Society 91 4 307 819 10.1088/0370-1328/91/4/307
Hibbert A.; Coulson C.A. Saddle-point character of the Hartree-Fock energy 1967 Proceedings of the Physical Society 92 1 304 17 10.1088/0370-1328/92/1/304
Coulson C.A.; Hibbert A. Z-1/2 expansion of the unrestricted Hartree-Fock equations for the (1s)(1ś) 1S states of helium and helium-like ions 1967 Proceedings of the Physical Society 91 1 308 33 10.1088/0370-1328/91/1/308
Burke V.M.; Grant I.P. The effect of relativity on atomic wave functions 1967 Proceedings of the Physical Society 90 2 301 297 10.1088/0370-1328/90/2/301
Grant I.P.; Burke V.M. The diffuse reflection of radiation by model planetary atmospheres 1966 Journal of Computational Physics 1 2   277 10.1016/0021-9991(66)90007-6
Grant I.P. On the representation of frequency dependence in non-grey radiative transfer 1965 Journal of Quantitative Spectroscopy and Radiative Transfer 5 1   227 10.1016/0022-4073(65)90042-7
Grant I.P. Relativistic self-consistent fields 1965 Proceedings of the Physical Society 86 3 311 523 10.1088/0370-1328/86/3/311
Grant I.P. Relativistic radiative transitions 1957 Physical Review 106 4   754 10.1103/PhysRev.106.754