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D-Matrix
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D-Matrix
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###################################################################
# D - Matrix
###################################################################
##<SCF| F |SCF>
#comm1 = exc_ia + exc_jb + F + deexc_nf + deexc_og
#comm2 = F + exc_ia + deexc_jb + deexc_nf + deexc_og
#comm2.append(('-','-'))
#comm3 = deexc_nf + deexc_og + exc_ia + exc_jb + F
#comm3.append(('-','-'))
#comm4 = deexc_nf + deexc_og + F + exc_ia + exc_jb
#name = 'D-SCF-F-SCF.tex'
##<SCF| V2 |SCF>
#comm1 = exc_ia + exc_jb + V2 + deexc_nf + deexc_og
#comm2 = V2 + exc_ia + exc_jb + deexc_nf + deexc_og
#comm2.append(('-','-'))
#comm3 = deexc_nf + deexc_og + exc_ia + exc_jb + V2
#comm3.append(('-','-'))
#comm4 = deexc_nf + deexc_og + V2 + exc_ia + exc_jb
#name = 'D-SCF-V2-SCF.tex'
##<SCF| V1 |SCF>
#comm1 = exc_ia + exc_jb + V1 + deexc_nf + deexc_og
#comm2 = V1 + exc_ia + exc_jb + deexc_nf + deexc_og
#comm2.append(('-','-'))
#comm3 = deexc_nf + deexc_og + exc_ia + exc_jb + V1
#comm3.append(('-','-'))
#comm4 = deexc_nf + deexc_og + V1 + exc_ia + exc_jb
#name = 'D-SCF-V1-SCF.tex'
#-------------------------------------------------------
###<MP1| F |SCF>
#comm1 = MP1_bra + exc_ia + exc_jb + F + deexc_nf + deexc_og
#comm2 = MP1_bra + F + exc_ia + exc_jb + deexc_nf + deexc_og
#comm2.append(('-','-'))
#comm3 = MP1_bra + deexc_nf + deexc_og + exc_ia + exc_jb + F
#comm3.append(('-','-'))
#comm4 = MP1_bra + deexc_nf + deexc_og + F + exc_ia + exc_jb
#name = 'D-MP1-F-SCF.tex'
#-------------------------------------------------------
#<SCF| F |MP1>
comm1 = exc_ia + exc_jb + F + deexc_nf + deexc_og + MP1_ket
comm2 = F + exc_ia + exc_jb + deexc_nf + deexc_og + MP1_ket
comm2.append(('-','-'))
comm3 = deexc_nf + deexc_og + exc_ia + exc_jb + F + MP1_ket
comm3.append(('-','-'))
comm4 = deexc_nf + deexc_og + F + exc_ia + exc_jb + MP1_ket
name = 'D-SCF-F-MP1.tex'
#-------------------------------------------------------