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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

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