Functions/Subroutines
subroutine	qedse (setype, matrix)
	Populates the `matrix` with QED self-energy matrix elements for each orbital. More...

Variables
integer, parameter	nsetypes = 4

character(*), dimension(nsetypes), parameter	setypes_long = (/ "Scaled hydrogenic (default) ", "QEDMOD (Shabaev et al., 2015) ", "Flambaum & Ginges, 2005 ", "Pyykkö & Zhao, 2003 " /)

character(*), dimension(nsetypes), parameter	setypes_short = (/ "hydrogenic", "qedmod ", "flambaum ", "pyykkoe " /)

Function/Subroutine Documentation

◆ qedse()

subroutine grasp_rciqed_qed::qedse	(	integer	setype,
		real(real64), dimension(nw, nw)	matrix
	)

Populates the matrix with QED self-energy matrix elements for each orbital.

setype determines the method used to estimate self-energy and can take the following values:

1 – SE estimate based on hydrogenic wavefunctions (qedse_mohr in libqed)
2 – Model operator approch for SE due to Shabaeva & Tupitsyna & Yerokhin (qedse_shabaev in libqed)
3 – Flambaum & Ginges semi-empiric self-energy (qedse_flambaum in libqed)
4 – Pyykkö & Zhao empiric self-energy (qedse_pyykkoe in libqed)

matrix is assumed to be an NW x NW real64 array.

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Variable Documentation

◆ nsetypes

integer, parameter grasp_rciqed_qed::nsetypes = 4

◆ setypes_long

character(*), dimension(nsetypes), parameter grasp_rciqed_qed::setypes_long = (/ "Scaled hydrogenic (default) ", "QEDMOD (Shabaev et al., 2015) ", "Flambaum & Ginges, 2005 ", "Pyykkö & Zhao, 2003 " /)

◆ setypes_short

character(*), dimension(nsetypes), parameter grasp_rciqed_qed::setypes_short = (/ "hydrogenic", "qedmod ", "flambaum ", "pyykkoe " /)