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https://github.com/pfloos/quack
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112 lines
3.3 KiB
Fortran
112 lines
3.3 KiB
Fortran
subroutine unrestricted_renormalization_factor_Tmatrix(eta,nBas,nC,nO,nV,nR,nHaa,nHab,nHbb, &
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nPaa,nPab,nPbb,e,Omega1aa,Omega1ab, &
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Omega1bb,rho1aa,rho1ab,rho1bb, &
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Omega2aa,Omega2ab,Omega2bb,rho2aa, &
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rho2ab,rho2bb,Z)
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! Compute renormalization factor of the T-matrix 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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double precision,intent(in) :: eta
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integer,intent(in) :: nBas,nC(nspin),nO(nspin),nV(nspin),nR(nspin)
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integer,intent(in) :: nHaa,nHab,nHbb
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integer,intent(in) :: nPaa,nPab,nPbb
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double precision,intent(in) :: e(nBas,nspin)
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double precision,intent(in) :: Omega1aa(nPaa),Omega1ab(nPab),Omega1bb(nPbb)
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double precision,intent(in) :: rho1aa(nBas,nBas,nPaa),rho1ab(nBas,nBas,nPab)
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double precision,intent(in) :: rho1bb(nBas,nBas,nPbb)
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double precision,intent(in) :: Omega2aa(nHaa),Omega2ab(nHab),Omega2bb(nHbb)
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double precision,intent(in) :: rho2aa(nBas,nBas,nHaa),rho2ab(nBas,nBas,nHab)
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double precision,intent(in) :: rho2bb(nBas,nBas,nHbb)
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! Local variables
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integer :: i,a,p,cd,kl
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double precision :: eps
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! Output variables
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double precision,intent(out) :: Z(nBas,nspin)
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!spin up part
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! Occupied part of the T-matrix self-energy
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do p=nC(1)+1,nBas-nR(1)
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do i=nC(1)+1,nO(1)
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do cd=1,nPaa
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eps = e(p,1) + e(i,1) - Omega1aa(cd)
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Z(p,1) = Z(p,1) - rho1aa(p,i,cd)**2*(eps/(eps**2 + eta**2))**2
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enddo
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enddo
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do i=nC(1)+1,nO(1)
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do cd=1,nPab
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eps = e(p,1) + e(i,1) - Omega1ab(cd)
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Z(p,1) = Z(p,1) - rho1ab(p,i,cd)**2*(eps/(eps**2 + eta**2))**2
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end do
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end do
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enddo
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! Virtual part of the T-matrix self-energy
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do p=nC(1)+1,nBas-nR(1)
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do a=nO(1)+1,nBas-nR(1)
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do kl=1,nHaa
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eps = e(p,1) + e(a,1) - Omega2aa(kl)
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Z(p,1) = Z(p,1) - rho2aa(p,a,kl)**2*(eps/(eps**2 + eta**2))**2
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enddo
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enddo
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do a=nO(2)+1,nBas-nR(2)
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do kl=1,nHab
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eps = e(p,1) + e(a,1) - Omega2ab(kl)
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Z(p,1) = Z(p,1) - rho2ab(p,a,kl)**2*(eps/(eps**2 + eta**2))**2
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enddo
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enddo
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enddo
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!spin down part
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! Occupied part of the T-matrix self-energy
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do p=nC(2)+1,nBas-nR(2)
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do i=nC(2)+1,nO(2)
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do cd=1,nPbb
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eps = e(p,2) + e(i,2) - Omega1bb(cd)
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Z(p,2) = Z(p,2) - rho1bb(p,i,cd)**2*(eps/(eps**2 + eta**2))**2
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enddo
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enddo
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do i=nC(1)+1,nO(1)
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do cd=1,nPab
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eps = e(p,2) + e(i,2) - Omega1ab(cd)
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Z(p,2) = Z(p,2) - rho1ab(p,i,cd)**2*(eps/(eps**2 + eta**2))**2
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enddo
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enddo
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enddo
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! Virtual part of the T-matrix self-energy
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do p=nC(2)+1,nBas-nR(2)
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do a=nO(2)+1,nBas-nR(2)
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do kl=1,nHbb
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eps = e(p,2) + e(a,2) - Omega2bb(kl)
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Z(p,2) = Z(p,2) - rho2bb(p,a,kl)**2*(eps/(eps**2 + eta**2))**2
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enddo
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enddo
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do a=nO(1)+1,nBas-nR(1)
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do kl=1,nHab
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eps = e(p,2) + e(a,2) - Omega2ab(kl)
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Z(p,2) = Z(p,2) - rho2ab(p,a,kl)**2*(eps/(eps**2 + eta**2))**2
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enddo
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enddo
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enddo
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end subroutine unrestricted_renormalization_factor_Tmatrix
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