sc::Becke88XFunctional(3)

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

  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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