| sc::Becke88XFunctional(3) | MPQC | sc::Becke88XFunctional(3) |
sc::Becke88XFunctional - Implements Becke's 1988 exchange functional.
#include <functional.h>
Inherits sc::DenFunctional.
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
&)
double beta_
double beta6_
Implements Becke's 1988 exchange functional.
A. D. Becke, Phys. Rev. A, 38(6), pp. 3098-3100, 1988.
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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| Sun Oct 4 2020 | Version 2.3.1 |