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https://github.com/pfloos/quack
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26 lines
612 B
Fortran
26 lines
612 B
Fortran
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subroutine self_energy_exchange(nBas,c,P,G,SigmaX)
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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),G(nBas,nBas,nBas,nBas)
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! Output variables
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double precision,intent(out) :: SigmaX(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,G,SigmaX)
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! Compute exchange part of the self-energy in the MO basis
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SigmaX = matmul(transpose(c),matmul(SigmaX,c))
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end subroutine self_energy_exchange
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