| sc::P86CFunctional(3) | MPQC | sc::P86CFunctional(3) |
sc::P86CFunctional - Implements the Perdew 1986 (P86) correlation functional.
#include <functional.h>
Inherits sc::DenFunctional.
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
&)
void init_constants ()
double a_
double C1_
double C2_
double C3_
double C4_
double C5_
double C6_
double C7_
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.
Reimplemented from sc::DenFunctional.
Implements sc::DenFunctional.
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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| Fri Dec 2 2022 | Version 2.3.1 |