| sc::PW92LCFunctional(3) | MPQC | sc::PW92LCFunctional(3) |
sc::PW92LCFunctional - Implements the PW92 local (LSDA) correlation term.
#include <functional.h>
Inherits sc::LSDACFunctional.
PW92LCFunctional (const Ref< KeyVal >
&)
PW92LCFunctional (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 &)
double F (double x, double A, double alpha_1, double
beta_1, double beta_2, double beta_3, double beta_4, double p)
double dFdr_s (double x, double A, double alpha_1, double beta_1,
double beta_2, double beta_3, double beta_4, double p)
Implements the PW92 local (LSDA) correlation term.
This local correlation functional is used in PW91 and PBE.
J. P. Perdew and Y. Wang. Phys. Rev. B, 45, 13244, 1992.
Implements sc::LSDACFunctional.
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.
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| Fri Dec 2 2022 | Version 2.3.1 |