.TH "sc::R12Amplitudes" 3 "Sun Oct 4 2020" "Version 2.3.1" "MPQC" \" -*- nroff -*-
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.SH NAME
sc::R12Amplitudes \- \fBR12Amplitudes\fP gives the amplitudes of some linear-R12-ansatz-related terms in wave function\&.  

.SH SYNOPSIS
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.PP
.PP
\fC#include <r12_amps\&.h>\fP
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Inherits \fBsc::RefCount\fP\&.
.SS "Public Member Functions"

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.RI "\fBR12Amplitudes\fP (const \fBRefSCMatrix\fP &T2_aa, const \fBRefSCMatrix\fP &T2_ab, const \fBRefSCMatrix\fP &Rvv_aa, const \fBRefSCMatrix\fP &Rvv_ab, const \fBRefSCMatrix\fP &Roo_aa, const \fBRefSCMatrix\fP &Roo_ab, const \fBRefSCMatrix\fP &Rvo_aa, const \fBRefSCMatrix\fP &Rvo_ab, const \fBRefSCMatrix\fP &Rxo_aa, const \fBRefSCMatrix\fP &Rxo_ab)"
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.RI "const \fBRefSCMatrix\fP \fBT2_aa\fP () const"
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.RI "const \fBRefSCMatrix\fP \fBT2_ab\fP () const"
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.RI "const \fBRefSCMatrix\fP \fBRvv_aa\fP () const"
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.RI "const \fBRefSCMatrix\fP \fBRvv_ab\fP () const"
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.RI "const \fBRefSCMatrix\fP \fBRoo_aa\fP () const"
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.RI "const \fBRefSCMatrix\fP \fBRoo_ab\fP () const"
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.RI "const \fBRefSCMatrix\fP \fBRvo_aa\fP () const"
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.RI "const \fBRefSCMatrix\fP \fBRvo_ab\fP () const"
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.RI "const \fBRefSCMatrix\fP \fBRxo_aa\fP () const"
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.RI "const \fBRefSCMatrix\fP \fBRxo_ab\fP () const"
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.SS "Additional Inherited Members"
.SH "Detailed Description"
.PP 
\fBR12Amplitudes\fP 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: F\*<ij\*> \*{(1)\*}  = C\*<kl\*> \*{ij\*}  ( r\*<12\*>  |kl> - 0\&.5 r\*<ab\*> \*{kl\*}  |ab> - 0\&.5 r\*<mn\*> \*{kl\*}  |mn> - r\*<am\*> \*{kl\*}  |am> - r\*<a'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\&. 

.SH "Author"
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Generated automatically by Doxygen for MPQC from the source code\&.