CheMPS2
CheMPS2::Heff Class Reference

#include <Heff.h>

Public Member Functions

 Heff (const SyBookkeeper *denBKIn, const Problem *ProbIn, const double dvdson_rtol_in)
 Constructor. More...
 
virtual ~Heff ()
 Destructor.
 
double SolveDAVIDSON (Sobject *denS, TensorL ***Ltensors, TensorOperator ****Atensors, TensorOperator ****Btensors, TensorOperator ****Ctensors, TensorOperator ****Dtensors, TensorS0 ****S0tensors, TensorS1 ****S1tensors, TensorF0 ****F0tensors, TensorF1 ****F1tensors, TensorQ ***Qtensors, TensorX **Xtensors, int nLower=0, double **VeffTilde=NULL) const
 Davidson Solver. More...
 

Static Public Member Functions

static int phase (const int TwoTimesPower)
 Phase function. More...
 

Detailed Description

Heff class.

Author
Sebastian Wouters sebas.nosp@m.tian.nosp@m.woute.nosp@m.rs@g.nosp@m.mail..nosp@m.com
Date
May 2, 2013

The Heff class contains the sparse eigensolver routines and effective Hamiltonian construction needed for the DMRG algorithm.

Definition at line 42 of file Heff.h.

Constructor & Destructor Documentation

CheMPS2::Heff::Heff ( const SyBookkeeper denBKIn,
const Problem ProbIn,
const double  dvdson_rtol_in 
)

Constructor.

Parameters
denBKInThe SyBookkeeper to get the dimensions
ProbInThe Problem that contains the Hamiltonian
dvdson_rtol_inThe residual tolerance for the DMRG Davidson iterations

Definition at line 31 of file Heff.cpp.

Member Function Documentation

static int CheMPS2::Heff::phase ( const int  TwoTimesPower)
inlinestatic

Phase function.

Parameters
TwoTimesPowerTwice the power of the phase (-1)^{power}
Returns
The phase (-1)^{TwoTimesPower/2}

Definition at line 75 of file Heff.h.

double CheMPS2::Heff::SolveDAVIDSON ( Sobject denS,
TensorL ***  Ltensors,
TensorOperator ****  Atensors,
TensorOperator ****  Btensors,
TensorOperator ****  Ctensors,
TensorOperator ****  Dtensors,
TensorS0 ****  S0tensors,
TensorS1 ****  S1tensors,
TensorF0 ****  F0tensors,
TensorF1 ****  F1tensors,
TensorQ ***  Qtensors,
TensorX **  Xtensors,
int  nLower = 0,
double **  VeffTilde = NULL 
) const

Davidson Solver.

Parameters
denSInitial guess S-object
LtensorsPointer to the single contracted 2nd quantized operators
AtensorsSpin-0 complementary operators of two creators
BtensorsSpin-1 complementary operators of two creators
CtensorsSpin-0 complementary operators of a creator and an annihilator
DtensorsSpin-1 complementary operators of a creator and an annihilator
S0tensorsSpin-0 reduction of two creators
S1tensorsSpin-1 reduction of two creators
F0tensorsSpin-0 reduction of a creator and an annihilator
F1tensorsSpin-1 reduction of a creator and an annihilator
QtensorsComplementary operators of three sandwiched 2nd quantized operators
XtensorsPointer to the completely contracted terms
nLowerNumber of lower-lying states to project out
VeffTildeThe projection operators to project the nLower lower-lying states out

Definition at line 317 of file Heff.cpp.

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