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sc::PZ81LCFunctional - Implements the PZ81 local (LSDA) correlation functional.

Author

       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                                    Sun Oct 4 2020                          sc::PZ81LCFunctional(3)

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

voidsc::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.

Name

       sc::PZ81LCFunctional - Implements the PZ81 local (LSDA) correlation functional.

Synopsis

       #include <functional.h>

       Inherits sc::LSDACFunctional.

   PublicMemberFunctionsPZ81LCFunctional (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 &)

   ProtectedMemberFunctions
       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)

   AdditionalInheritedMembers

See Also