subroutine exchange_matrix_AO_basis(nBas,P,ERI,K) ! Compute exchange matrix in the AO basis implicit none include 'parameters.h' ! Input variables integer,intent(in) :: nBas double precision,intent(in) :: P(nBas,nBas) double precision,intent(in) :: ERI(nBas,nBas,nBas,nBas) ! Local variables integer :: mu,nu,la,si ! Output variables double precision,intent(out) :: K(nBas,nBas) K = 0d0 do nu=1,nBas do si=1,nBas do la=1,nBas do mu=1,nBas K(mu,nu) = K(mu,nu) - P(la,si)*ERI(mu,la,si,nu) end do end do end do end do end subroutine