GQCP::GeminalCoefficientsInterface Class Reference

#include <GeminalCoefficientsInterface.hpp>

Inheritance diagram for GQCP::GeminalCoefficientsInterface:

Collaboration diagram for GQCP::GeminalCoefficientsInterface:

Public Member Functions
virtual	~GeminalCoefficientsInterface ()=default
virtual double	overlap (const SpinUnresolvedONV &onv) const =0
LinearExpansion< double, SeniorityZeroONVBasis >	toLinearExpansion (const SeniorityZeroONVBasis &onv_basis) const

Constructor & Destructor Documentation

~GeminalCoefficientsInterface()

virtual GQCP::GeminalCoefficientsInterface::~GeminalCoefficientsInterface ( )

virtualdefault

Member Function Documentation

overlap()

virtual double GQCP::GeminalCoefficientsInterface::overlap ( const SpinUnresolvedONV &  onv ) const

pure virtual

Parameters

onv	the doubly-occupied (spin-resolved) ONV that is being projected on

Returns

the overlap of the APIG-like wave function with the given ONV, i.e. the projection of the APIG wave function onto that ONV

Implemented in GQCP::AP1roGGeminalCoefficients, and GQCP::APIGGeminalCoefficients.

toLinearExpansion()

LinearExpansion< double, SeniorityZeroONVBasis > GQCP::GeminalCoefficientsInterface::toLinearExpansion

(

const SeniorityZeroONVBasis &

onv_basis

)

const

Parameters

onv_basis

the seniority-zero spin-resolved ONV basis the wave function should live in

Returns

the wave function expansion corresponding to the geminal coefficients

Parameters

onv_basis

the seniority-zero spin-resolved ONV basis the wave function should live in

Returns

The wave function expansion corresponding to the geminal coefficients.

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The documentation for this class was generated from the following files:

• /__w/GQCP/GQCP/gqcp/include/QCModel/Geminals/GeminalCoefficientsInterface.hpp
• /__w/GQCP/GQCP/gqcp/src/QCModel/Geminals/GeminalCoefficientsInterface.cpp