sc::Becke88XFunctional

NAME

sc::Becke88XFunctional - Implements Becke’s 1988 exchange functional.

SYNOPSIS

#include <functional.h>

Inherits sc::DenFunctional.

Public Member Functions

Becke88XFunctional (const Ref< KeyVal > &)
Becke88XFunctional (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 Attributes

double beta_
double beta6_

Additional Inherited Members

Detailed Description

Implements Becke’s 1988 exchange functional.

A. D. Becke, Phys. Rev. A, 38(6), pp. 3098-3100, 1988.

Member Function Documentation

int sc::Becke88XFunctional::need_density_gradient () [virtual]

Reimplemented from sc::DenFunctional.

void sc::Becke88XFunctional::point (const PointInputData &, PointOutputData&) [virtual]

Implements sc::DenFunctional.

void sc::Becke88XFunctional::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.

Author

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