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_

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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