# sc_R12Amplitudes - Man Page

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

## Synopsis

`#include <r12_amps.h>`

Inherits sc::RefCount.

### Public Member Functions

R12Amplitudes (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 RefSCMatrix T2_aa () const
const RefSCMatrix T2_ab () const
const RefSCMatrix Rvv_aa () const
const RefSCMatrix Rvv_ab () const
const RefSCMatrix Roo_aa () const
const RefSCMatrix Roo_ab () const
const RefSCMatrix Rvo_aa () const
const RefSCMatrix Rvo_ab () const
const RefSCMatrix Rxo_aa () const
const RefSCMatrix Rxo_ab () const

## Detailed Description

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.

## Author

Generated automatically by Doxygen for MPQC from the source code.

## Info

Tue Jan 26 2021 Version 2.3.1 MPQC