mirror of https://github.com/pfloos/quack
26 lines
588 B
Fortran
26 lines
588 B
Fortran
subroutine self_energy_exchange(nBas,c,P,ERI,SigX)
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! Compute exchange part of the self-energy
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implicit none
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include 'parameters.h'
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! Input variables
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integer,intent(in) :: nBas
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double precision,intent(in) :: c(nBas,nBas),P(nBas,nBas),ERI(nBas,nBas,nBas,nBas)
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! Output variables
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double precision,intent(out) :: SigX(nBas,nBas)
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! Compute exchange part of the self-energy in the AO basis
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call exchange_matrix_AO_basis(nBas,P,ERI,SigX)
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! Compute exchange part of the self-energy in the MO basis
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SigX = matmul(transpose(c),matmul(SigX,c))
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end subroutine
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