sc::R12Amplitudes - R12Amplitudes gives the amplitudes of some linear-R12-ansatz-related terms in wave

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Version 2.3.1                                    Sun Oct 4 2020                             sc::R12Amplitudes(3)

R12Amplitudes gives the amplitudes of some linear-R12-ansatz-related terms in wave function.

       The first-order wave function terms which result from linear R12 terms are: Fij (1)  = Ckl ij  ( r12
       |kl> - 0.5 rab kl  |ab> - 0.5 rmn kl  |mn> - ram kl  |am> - ra'm kl  |a'm> ) where C are optimal first-
       order coefficients and r are antisymmetrized integrals over r12 operator. Indices a, b are virtual MOs;
       m,n are occupied MOs; i, j, k, l are active occupied MOs, a' is an RI basis index.

       sc::R12Amplitudes - R12Amplitudes gives the amplitudes of some linear-R12-ansatz-related terms in wave
       function.

       #include <r12_amps.h>

       Inherits sc::RefCount.

   PublicMemberFunctionsR12Amplitudes (const RefSCMatrix &T2_aa, const RefSCMatrix &T2_ab, const RefSCMatrix &Rvv_aa, const
           RefSCMatrix &Rvv_ab, const RefSCMatrix &Roo_aa, const RefSCMatrix &Roo_ab, const RefSCMatrix &Rvo_aa,
           const RefSCMatrix &Rvo_ab, const RefSCMatrix &Rxo_aa, const RefSCMatrix &Rxo_ab)
       const RefSCMatrixT2_aa () const
       const RefSCMatrixT2_ab () const
       const RefSCMatrixRvv_aa () const
       const RefSCMatrixRvv_ab () const
       const RefSCMatrixRoo_aa () const
       const RefSCMatrixRoo_ab () const
       const RefSCMatrixRvo_aa () const
       const RefSCMatrixRvo_ab () const
       const RefSCMatrixRxo_aa () const
       const RefSCMatrixRxo_ab () const

   AdditionalInheritedMembers