## Class FourierGridBasis

• All Implemented Interfaces:
`IBasis`

```public class FourierGridBasis
extends Object
implements IBasis```
At this time this class does not work correcly. The theory were from [Marston, C.C.. J.Chem.Phys.. 1989. 91].
Author:
Stephan Michels <stephan@vern.chem.tu-berlin.de>
Source code:
main
Belongs to CDK module:
qm
Created on:
2001-07-02
• ### Constructor Summary

Constructors
Constructor Description
```FourierGridBasis​(int N, double minx, double maxx, IFunction potential)```
• ### Method Summary

All Methods
Modifier and Type Method Description
`double` ```calcI​(int i, int j, int k, int l)```
Calculates a two eletron fout center integral I = <chi_i chi_j | 1/r12 | chi_k chi_l >.
`double` ```calcJ​(int i, int j)```
Calculates the impulse J = -<d/dr chi_i | d/dr chi_j>.
`double` ```calcS​(int i, int j)```
Calculate the overlap integral S = <phi_i|phi_j>.
`double` ```calcV​(int i, int j)```
Calculates the potential V = <chi_i | 1/r | chi_j>.
`double` `getMaxX()`
Gets the dimension of the volume, which describes the base.
`double` `getMaxY()`
Gets the dimension of the volume, which describes the base.
`double` `getMaxZ()`
Gets the dimension of the volume, which describes the base.
`double` `getMinX()`
Gets the dimension of the volume, which describes the base.
`double` `getMinY()`
Gets the dimension of the volume, which describes the base.
`double` `getMinZ()`
Gets the dimension of the volume, which describes the base.
`int` `getSize()`
Gets the number of base vectors
`double` ```getValue​(int index, double x, double y, double z)```
Calculates the function value an (x,y,z).
`Vector` ```getValues​(int index, Matrix m)```
Calculates the function values.
• ### Methods inherited from class java.lang.Object

`clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait`
• ### Constructor Detail

• #### FourierGridBasis

```public FourierGridBasis​(int N,
double minx,
double maxx,
IFunction potential)```
• ### Method Detail

• #### getSize

`public int getSize()`
Description copied from interface: `IBasis`
Gets the number of base vectors
Specified by:
`getSize` in interface `IBasis`
• #### getMinX

`public double getMinX()`
Description copied from interface: `IBasis`
Gets the dimension of the volume, which describes the base.
Specified by:
`getMinX` in interface `IBasis`
• #### getMaxX

`public double getMaxX()`
Description copied from interface: `IBasis`
Gets the dimension of the volume, which describes the base.
Specified by:
`getMaxX` in interface `IBasis`
• #### getMinY

`public double getMinY()`
Description copied from interface: `IBasis`
Gets the dimension of the volume, which describes the base.
Specified by:
`getMinY` in interface `IBasis`
• #### getMaxY

`public double getMaxY()`
Description copied from interface: `IBasis`
Gets the dimension of the volume, which describes the base.
Specified by:
`getMaxY` in interface `IBasis`
• #### getMinZ

`public double getMinZ()`
Description copied from interface: `IBasis`
Gets the dimension of the volume, which describes the base.
Specified by:
`getMinZ` in interface `IBasis`
• #### getMaxZ

`public double getMaxZ()`
Description copied from interface: `IBasis`
Gets the dimension of the volume, which describes the base.
Specified by:
`getMaxZ` in interface `IBasis`
• #### getValue

```public double getValue​(int index,
double x,
double y,
double z)```
Description copied from interface: `IBasis`
Calculates the function value an (x,y,z).
Specified by:
`getValue` in interface `IBasis`
Parameters:
`index` - The number of the base
• #### getValues

```public Vector getValues​(int index,
Matrix m)```
Description copied from interface: `IBasis`
Calculates the function values.
Specified by:
`getValues` in interface `IBasis`
Parameters:
`index` - The number of the base
• #### calcS

```public double calcS​(int i,
int j)```
Description copied from interface: `IBasis`
Calculate the overlap integral S = <phi_i|phi_j>.
Specified by:
`calcS` in interface `IBasis`
Parameters:
`i` - Index of the first base
`j` - Index of the second base
• #### calcJ

```public double calcJ​(int i,
int j)```
Description copied from interface: `IBasis`
Calculates the impulse J = -<d/dr chi_i | d/dr chi_j>.
Specified by:
`calcJ` in interface `IBasis`
Parameters:
`i` - Index of the first base
`j` - Index of the second base
• #### calcV

```public double calcV​(int i,
int j)```
Description copied from interface: `IBasis`
Calculates the potential V = <chi_i | 1/r | chi_j>.
Specified by:
`calcV` in interface `IBasis`
Parameters:
`i` - Index of the first base
`j` - Index of the second base
• #### calcI

```public double calcI​(int i,
int j,
int k,
int l)```
Description copied from interface: `IBasis`
Calculates a two eletron fout center integral I = <chi_i chi_j | 1/r12 | chi_k chi_l >.
Specified by:
`calcI` in interface `IBasis`
Parameters:
`i` - Index of the first base
`j` - Index of the second base
`k` - Index of the third base
`l` - Index of the fourth base