Evaluates the single particle matrix elements of an arbitrary (even) potential represented as an array on the GRASP grid in the basis of GRASP orbitals. More...

Public Member Functions
subroutine	potential (v, matrix)
	Populates `matrix` with the matrix elements of potential `v`. More...

subroutine	potential_kl (v, k1, k2, result)
	Integrates the generic potential, stored in the array `v`, with orbitals `k1` and `k2` to obtain a single particle matrix element correponding to those orbitals. More...

Detailed Description

Evaluates the single particle matrix elements of an arbitrary (even) potential represented as an array on the GRASP grid in the basis of GRASP orbitals.

Constructor & Destructor Documentation

◆ potential()

subroutine grasp_rciqed_qed_vp::potential::potential	(	real(real64), dimension(:), intent(in)	v,
		real(real64), dimension(:, :), intent(out)	matrix
	)

Populates matrix with the matrix elements of potential v.

Internally, it uses the QUAD routine to perform the integration on the standard GRASP grid. It will multiply the value of the potential with RP, so the user should not do that themselves (i.e. internally TA ~ V * RP).

Parameters

v	An array containing the potential, represented on the GRASP grid.
matrix	An `NW x NW` `real64` array for storing the matrix elements.

Member Function/Subroutine Documentation

◆ potential_kl()

subroutine grasp_rciqed_qed_vp::potential::potential_kl	(	real(real64), dimension(:), intent(in)	v,
		integer, intent(in)	k1,
		integer, intent(in)	k2,
		real(real64), intent(out)	result
	)

Integrates the generic potential, stored in the array v, with orbitals k1 and k2 to obtain a single particle matrix element correponding to those orbitals.