MADNESS  0.10.1
Functions | Variables
h2.cc File Reference

Solves the Hartree-Fock equations for the hydrogen molecule. More...

#include <madness/mra/mra.h>
#include <madness/mra/operator.h>
Include dependency graph for h2.cc:

Functions

static double guess (const coord_3d &r)
 
void iterate (World &world, real_function_3d &V, real_function_3d &psi, double &eps)
 
int main (int argc, char **argv)
 
static double V (const coord_3d &r)
 

Variables

static const long k = 8
 
static const double L = 64.0*R
 
static const double R = 1.4
 
static const double thresh = 1e-6
 

Detailed Description

Solves the Hartree-Fock equations for the hydrogen molecule.

Function Documentation

◆ guess()

static double guess ( const coord_3d r)
static

References e(), and R.

Referenced by main().

◆ iterate()

void iterate ( World world,
real_function_3d V,
real_function_3d psi,
double &  eps 
)

◆ main()

int main ( int  argc,
char **  argv 
)

◆ V()

static double V ( const coord_3d r)
static

References e(), and R.

Referenced by iterate(), and main().

Variable Documentation

◆ k

const long k = 8
static

Referenced by main().

◆ L

const double L = 64.0*R
static

Referenced by main().

◆ R

const double R = 1.4
static

Referenced by guess(), main(), and V().

◆ thresh

const double thresh = 1e-6
static

Referenced by main().