sc::P86CFunctional Class Reference

Implements the Perdew 1986 (P86) correlation functional. More...

#include <functional.h>

Inheritance diagram for sc::P86CFunctional:

List of all members.

Public Member Functions
	P86CFunctional (const Ref< KeyVal > &)
	P86CFunctional (StateIn &)
void	save_data_state (StateOut &)
	Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.
int	need_density_gradient ()
void	point (const PointInputData &, PointOutputData &)
Protected Member Functions
void	init_constants ()
Protected Attributes
double	a_
double	C1_
double	C2_
double	C3_
double	C4_
double	C5_
double	C6_
double	C7_

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Detailed Description

Implements the Perdew 1986 (P86) correlation functional.

J. P. Perdew, Phys. Rev. B, 33(12), pp. 8822-8824.

J. P. Perdew, Phys. Rev. B. 34(10), pp. 7406.

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Member Function Documentation

void sc::P86CFunctional::save_data_state

(

StateOut &

)

[virtual]

Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.

This must be implemented by the derived class if the class has data.

Reimplemented from sc::DenFunctional.

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

• functional.h