sc::PZ81LCFunctional(3) MPQC sc::PZ81LCFunctional(3)NAME
sc::PZ81LCFunctional - Implements the PZ81 local (LSDA) correlation
functional.
SYNOPSIS
#include <functional.h>
Inherits sc::LSDACFunctional.
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)
Additional Inherited Members
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.
Author
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Version 2.3.1 Fri Feb 19 2016 sc::PZ81LCFunctional(3)
