CheMPS2::Excitation Class Reference

#include <Excitation.h>

Static Public Member Functions
static double	matvec (const SyBookkeeper *book_up, const SyBookkeeper *book_down, const int orb1, const int orb2, const double alpha, const double beta, const double gamma, Sobject *S_up, Sobject *S_down, TensorO **overlaps, TensorL **regular, TensorL **trans)
	Matrix-vector multiplication S_up = ( alpha * E_{orb1,orb2} + beta * E_{orb2,orb1} + gamma ) x S_down. More...

Detailed Description

Excitation class.

Author

Sebastian Wouters sebas.nosp@m.tian.nosp@m.woute.nosp@m.rs@g.nosp@m.mail..nosp@m.com

Date

April 8, 2016

The Excitation class contains multipliction routines to calculate ( alpha * E_tl + beta * E_lt + gamma ) x vector, where the orbital irreps of l and t are the same.

Definition at line 35 of file Excitation.h.

Member Function Documentation

double CheMPS2::Excitation::matvec ( const SyBookkeeper *  book_up, const SyBookkeeper *  book_down, const int  orb1, const int  orb2, const double  alpha, const double  beta, const double  gamma, Sobject *  S_up, Sobject *  S_down, TensorO **  overlaps, TensorL **  regular, TensorL **  trans  )

static

Matrix-vector multiplication S_up = ( alpha * E_{orb1,orb2} + beta * E_{orb2,orb1} + gamma ) x S_down.

Parameters

book_up	The upper symmetry bookkeeper (result vector)
book_down	The lower symmetry bookkeeper (origin vector)
orb1	The first orbital with orb1 < orb2
orb2	The second orbital with orb1 < orb2
alpha	Prefactor of E_{orb1,orb2}
beta	Prefactor of E_{orb2,orb1}
gamma	Prefactor of operator 1
S_up	Where the result should be stored
S_down	The original S-object
overlaps	Overlap tensors
regular	Regular renormalized single quantized operator
trans	Transposed renormalized single quantized operator

Definition at line 31 of file Excitation.cpp.

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

• Excitation.h
• Excitation.cpp