sc::PBEXFunctional - Implements the Perdew-Burke-Ernzerhof (PBE) exchange functional.

       Generated automatically by Doxygen for MPQC from the source code.

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

       Implements the Perdew-Burke-Ernzerhof (PBE) exchange 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.

       See also the comment and reply discussing the revPBE modification which adjusts the value of kappa:

       Yingkai Zhang and Weitao Yang, Phys. Rev. Lett., 80(4), pp. 890, 1998.

       John P. Perdew, Kieron Burke, and Matthias Ernzerhof, Phys. Rev. Lett., 80(4), pp. 891, 1998.

voidsc::PBEXFunctional::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.

       sc::PBEXFunctional - Implements the Perdew-Burke-Ernzerhof (PBE) exchange functional.

       #include <functional.h>

       Inherits sc::DenFunctional.

   PublicMemberFunctionsPBEXFunctional (const Ref< KeyVal > &)
       PBEXFunctional (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 &)

   ProtectedMemberFunctions
       void spin_contrib (const PointInputData::SpinData &, double &mpw, double &dmpw_dr, double &dmpw_dg)
       void init_constants ()

   ProtectedAttributes
       double mu
       double kappaAdditionalInheritedMembers