/home/pxiang/workspace_new/CalculateGreenFunction/src/directCalculation/direct_calculation.cpp File Reference

#include "direct_calculation.h"

Functions
void	formAllBasisSets (LatticeShape &lattice, IMatrix &basisIndex, std::vector< Basis > &basisSets)
void	formHamiltonianMatrix (LatticeShape &lattice, DMatrix &hamiltonian, IMatrix &basisIndex, std::vector< Basis > &basisSets)
void	obtainEigenVectors (DMatrix &hamiltonian, DVector &eigenValues, DMatrix &eigenVectors)
void	numeratorHelper (LatticeShape &lattice, Basis &bra, Basis &ket, IMatrix &basisIndex, DMatrix &eigenVectors, CDArray &numerator)
void	denominatorHelper (dcomplex z, DVector &eigenValues, CDArray &oneOverDenominator)
dcomplex	greenFuncHelper (CDArray &numerator, CDArray &oneOverDenominator)
void	greenFunc_direct (LatticeShape &lattice, Basis &bra, Basis &ket, std::vector< dcomplex > &zList, std::vector< dcomplex > &gfList)
void	densityOfState_direct (LatticeShape &lattice, Basis &basis, std::vector< dcomplex > &zList, std::vector< double > &dosList)
void	densityOfStateAll_direct (LatticeShape &lattice, std::vector< dcomplex > &zList, std::vector< std::string > &fileList)
void	calculateAllGreenFunc_direct (LatticeShape &lattice, Basis &initialSites, std::vector< dcomplex > &zList, std::vector< std::string > &fileList)

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Function Documentation

void calculateAllGreenFunc_direct	(	LatticeShape &	lattice,
		Basis &	initialSites,
		std::vector< dcomplex > &	zList,
		std::vector< std::string > &	fileList
	)

calculate all Green's function and save them into files

before calling this, call generateIndexMatrix(lattice); setInteractions(lattice, interactionData);

void denominatorHelper	(	dcomplex	z,
		DVector &	eigenValues,
		CDArray &	oneOverDenominator
	)

void densityOfState_direct	(	LatticeShape &	lattice,
		Basis &	basis,
		std::vector< dcomplex > &	zList,
		std::vector< double > &	dosList
	)

calculate the density of state at (site1, site2) density_of_state = -Im(<basis | G(z) | basis>)/Pi

before calling this, call generateIndexMatrix(lattice1D); setInteractions(lattice1D, interactionData);

void densityOfStateAll_direct	(	LatticeShape &	lattice,
		std::vector< dcomplex > &	zList,
		std::vector< std::string > &	fileList
	)

calculate the density of state at all possible sites density_of_state = -Im(<basis | G(z) | basis>)/Pi

before calling this, call generateIndexMatrix(lattice1D); setInteractions(lattice1D, interactionData);

void formAllBasisSets	(	LatticeShape &	lattice,
		IMatrix &	basisIndex,
		std::vector< Basis > &	basisSets
	)

forming all the basis sets

A two-particle basis can be generally written as basis( index_for_site1, index_for_site2 ) = basis( i, j ) In 1D, a site can be labeled by the corresponding lattice coordinate x. In 2D, a site is specified by the lattice coordinate (x,y), and it can be labeled by index = x + y*(xmax + 1). We have a function: void getLatticeIndex(LatticeShape& lattice, Basis& basis, int &site1, int &site2) which can be used to calculate the index for site1 and site2 given a basis set

basisIndex(site1, site2) = nth means that the basis set with (site1, site2) is the nth basis set.

before calling this, call generateIndexMatrix(lattice1D); setInteractions(lattice1D, interactionData);

void formHamiltonianMatrix	(	LatticeShape &	lattice,
		DMatrix &	hamiltonian,
		IMatrix &	basisIndex,
		std::vector< Basis > &	basisSets
	)

before calling this, call generateIndexMatrix(lattice1D); setInteractions(lattice1D, interactionData);

void greenFunc_direct	(	LatticeShape &	lattice,
		Basis &	bra,
		Basis &	ket,
		std::vector< dcomplex > &	zList,
		std::vector< dcomplex > &	gfList
	)

calculating the green function <bra | G(z) | ket>

before calling this, call generateIndexMatrix(lattice1D); setInteractions(lattice1D, interactionData);

dcomplex greenFuncHelper	(	CDArray &	numerator,
		CDArray &	oneOverDenominator
	)

void numeratorHelper	(	LatticeShape &	lattice,
		Basis &	bra,
		Basis &	ket,
		IMatrix &	basisIndex,
		DMatrix &	eigenVectors,
		CDArray &	numerator
	)

helper functions for calculating the green function <bra | G(z) | ket>

for 1D: <bra| = basis(n1f, n2f) |ket> = basis(n1i, n1i)

void obtainEigenVectors	(	DMatrix &	hamiltonian,
		DVector &	eigenValues,
		DMatrix &	eigenVectors
	)

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