Enter your search terms GNU-Darwin Web Submit search form

sc::PZ81LCFunctional Class Reference Implements the PZ81 local (LSDA) correlation functional. More... #include <functional.h> Inheritance diagram for sc::PZ81LCFunctional: [legend]Collaboration diagram for sc::PZ81LCFunctional: [legend]List of all members. Public Methods   PZ81LCFunctional ()   PZ81LCFunctional (const Ref< KeyVal > &)   PZ81LCFunctional (StateIn &)   ~PZ81LCFunctional () 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. More... void  point_lc (const PointInputData &, PointOutputData &, double &, double &, double &) Protected Methods 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. The documentation for this class was generated from the following file: functional.h