Routines to compute singles correction to RPA (RSE) More...

Functions/Subroutines
subroutine, public	rse_energy (qs_env, mp2_env, para_env, dft_control, mo_coeff, nmo, homo, Eigenval)
	Single excitations energy corrections for RPA. More...

Detailed Description

Routines to compute singles correction to RPA (RSE)

Function/Subroutine Documentation

subroutine, public rpa_rse::rse_energy	(	type(qs_environment_type), intent(in), pointer	qs_env,
		type(mp2_type), intent(inout)	mp2_env,
		type(mp_para_env_type), intent(in), pointer	para_env,
		type(dft_control_type), intent(in), pointer	dft_control,
		type(cp_fm_type), dimension(:), intent(in)	mo_coeff,
		integer, intent(in)	nmo,
		integer, dimension(:), intent(in)	homo,
		real(kind=dp), dimension(:, :), intent(in)	Eigenval
	)

Single excitations energy corrections for RPA.

Parameters

Definition at line 91 of file rpa_rse.F.

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