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sc::PBECFunctional(3)                MPQC                sc::PBECFunctional(3)

NAME
       sc::PBECFunctional - Implements the Perdew-Burke-Ernzerhof (PBE)
       correlation functional.

SYNOPSIS
       #include <functional.h>

       Inherits sc::DenFunctional.

   Public Member Functions
       PBECFunctional (const Ref< KeyVal > &)
       PBECFunctional (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 set_spin_polarized (int)

   Protected Member Functions
       void init_constants ()
       double rho_deriv (double rho_a, double rho_b, double mdr, double
           ec_local, double ec_local_dra)
       double gab_deriv (double rho, double phi, double mdr, double ec_local)

   Protected Attributes
       Ref< LSDACFunctional > local_
       double gamma
       double beta

   Additional Inherited Members

Detailed Description
       Implements the Perdew-Burke-Ernzerhof (PBE) correlation functional.

       John P. Perdew, Kieron Burke, and Yue Wang, Phys. Rev. B, 54(23), pp.
       16533-16539, 1996.

       John P. Perdew, Kieron Burke, and Matthias Ernzerhof, Phys. Rev. Lett.,
       77(18), pp. 3865-3868, 1996.

Member Function Documentation
   void sc::PBECFunctional::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.

Version 2.3.1                   Fri Feb 19 2016          sc::PBECFunctional(3)