Path Integral Quantum Monte Carlo
Public Member Functions
JastrowWaveFunction Class Reference

Implementation of a Jastrow trial wave function suitable for He. More...

#include <wavefunction.h>

+ Inheritance diagram for JastrowWaveFunction:
+ Collaboration diagram for JastrowWaveFunction:

Public Member Functions

 JastrowWaveFunction (const Path &, LookupTable &_lookup, string _name="Jastrow")
 Constructor.
 
 ~JastrowWaveFunction ()
 Destructor.
 
double PsiTrial (const double)
 The value of the 2-body trial wave function.
 
double PsiTrial (const int)
 The value of the trial wave function.
 
double delPsiTrial (const double r)
 The derivative of psi over psi.
 
double delSqPsiTrial (const double r)
 The derivative of psi over psi.
 
double gradSqPsiTrial (const int)
 The value of the N-body trial wave function.
 
double twoBodyPsiTrial (const double)
 
- Public Member Functions inherited from WaveFunctionBase
 WaveFunctionBase (const Path &, LookupTable &_lookup, string _name="constant")
 Setup the path data members for the constant trial wavefunction.
 
virtual ~WaveFunctionBase ()
 Empty base constructor.
 
virtual double PsiTrial (const beadLocator &)
 

Additional Inherited Members

- Data Fields inherited from WaveFunctionBase
string name
 Name of the trial wave function.
 
- Protected Attributes inherited from WaveFunctionBase
const Pathpath
 A reference to the paths.
 
LookupTablelookup
 We need a non-constant reference for updates.
 

Detailed Description

Implementation of a Jastrow trial wave function suitable for He.

See also
Cuervo, Roy, & Boninsegni,, J. Chem. Phys., 122(11), 114504 (2005).

Definition at line 78 of file wavefunction.h.


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