#include <functional.h>
Inheritance diagram for sc::PZ81LCFunctional:
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) |
This local correlation functional is used in P86.
J. P. Perdew and A. Zunger, Phys. Rev. B, 23, pp. 5048-5079, 1981.
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.