sc::p86cfunctional(3)
NAME
sc::P86CFunctional - Implements the Perdew 1986 (P86) correlation
functional.
SYNOPSIS
#include <functional.h> Inherits sc::DenFunctional. Public Member Functions 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 &) Protected Member Functions void init_constants () Protected Attributes double a_ double C1_ double C2_ double C3_ double C4_ double C5_ double C6_ double C7_
Detailed Description
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.
Member Function Documentation
- void sc::P86CFunctional::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
- Generated automatically by Doxygen for MPQC from the source code.