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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_

## 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.

## 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.

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

- functional.h