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NAME

       sc::PZ81LCFunctional -

       Implements the PZ81 local (LSDA) correlation functional.

SYNOPSIS

       #include <functional.h>

       Inherits sc::LSDACFunctional.

   Public Member Functions
       PZ81LCFunctional (const Ref< KeyVal > &)
       PZ81LCFunctional (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.
       void point_lc (const PointInputData &, PointOutputData &, double &,
           double &, double &)

   Protected Member Functions
       double Fec_rsgt1 (double rs, double beta_1, double beta_2, double
           gamma)
       double dFec_rsgt1_drho (double rs, double beta_1, double beta_2, double
           gamma, double &dec_drs)
       double Fec_rslt1 (double rs, double A, double B, double C, double D)
       double dFec_rslt1_drho (double rs, double A, double B, double C, double
           D, double &dec_drs)

Detailed Description

       Implements the PZ81 local (LSDA) correlation functional.

       This local correlation functional is used in P86.

       J. P. Perdew and A. Zunger, Phys. Rev. B, 23, pp. 5048-5079, 1981.

Member Function Documentation

   void sc::PZ81LCFunctional::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::LSDACFunctional.

Author

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