MCTDH-X
v2.22
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This module collects the routines necessary for the indexing of the one-body and two-body matrix elements as well as the coefficients and configurations of indistinguishable fermions. More...
Public Member Functions | |
subroutine | get_configuration_distance (Distance, Nvec_Fermions, Slot1, Slot2) |
This subroutine computes the distance d^kq for an input occupation number vector |n> for Fermions to determine the additional potential (-1) prefactors in the matrix elements of the reduced one- and two- body densities and other operators as prescribed in the appendixes of JCP 127, 154103 (2007). More... | |
subroutine | get_configurationfromindex_fermions (Ind0, N0, M0, Nvec_Fermions) |
This subroutine computes the Number state Nvec corresponding to the index Ind0 of the fermionic CI-vector. More... | |
subroutine | get_indexfromconfiguration_fermions (N, M, Nvec, Ind) |
This routine computes the index Ind of the CI-Vector that corresponds to a given number state Nvec for Fermions. It's basically an implementation of Eq.6 of the mapping paper, PRA 81 022124. More... | |
This module collects the routines necessary for the indexing of the one-body and two-body matrix elements as well as the coefficients and configurations of indistinguishable fermions.
subroutine addresses_fermions::get_configuration_distance | ( | integer | Distance, |
integer, dimension(morb) | Nvec_Fermions, | ||
integer | Slot1, | ||
integer | Slot2 | ||
) |
This subroutine computes the distance d^kq for an input occupation number vector |n> for Fermions to determine the additional potential (-1) prefactors in the matrix elements of the reduced one- and two- body densities and other operators as prescribed in the appendixes of JCP 127, 154103 (2007).
Referenced by onebody_mapconstruction_fermions::get_1body_mapping_fermions(), and twobody_mapconstruction_fermions::get_2body_mapping_fermions().
subroutine addresses_fermions::get_configurationfromindex_fermions | ( | integer | Ind0, |
integer | N0, | ||
integer | M0, | ||
integer, dimension(m0) | Nvec_Fermions | ||
) |
This subroutine computes the Number state Nvec corresponding to the index Ind0 of the fermionic CI-vector.
Referenced by onebody_mapconstruction_fermions::get_1body_mapping_fermions(), and twobody_mapconstruction_fermions::get_2body_mapping_fermions().
subroutine addresses_fermions::get_indexfromconfiguration_fermions | ( | integer | N, |
integer | M, | ||
integer, dimension(morb) | Nvec, | ||
integer | Ind | ||
) |
This routine computes the index Ind of the CI-Vector that corresponds to a given number state Nvec for Fermions. It's basically an implementation of Eq.6 of the mapping paper, PRA 81 022124.
Referenced by onebody_mapconstruction_fermions::get_1body_mapping_fermions(), and twobody_mapconstruction_fermions::get_2body_mapping_fermions().