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sc::R12Amplitudes(3)		     MPQC		  sc::R12Amplitudes(3)

NAME
       sc::R12Amplitudes - 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

   Additional Inherited	Members
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.

Version	2.3.1			Sun Feb	28 2021		  sc::R12Amplitudes(3)

NAME | SYNOPSIS | Detailed Description | Author

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