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PZ81LCFunctional Class Reference

Implements the PZ81 local (LSDA) correlation functional. More...

#include <functional.h>

Inheritance diagram for PZ81LCFunctional

[legend]Collaboration diagram for 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)

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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.

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Member Function Documentation

void PZ81LCFunctional::save_data_state ( StateOut & s ) [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 LSDACFunctional.

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The documentation for this class was generated from the following file:

• functional.h

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