---
name: "sc_PW91XFunctional"
section: "3"
platform: "linux"
package: "libsc-doc"
version: "2.3.1-22"
release: "Debian 12 (Bookworm)"
platforms: ["linux"]
url: "https://new.carta.tech/sc_PW91XFunctional"
---

# sc\_PW91XFunctional(3)

The Perdew-Wang 1991 exchange functional computes energies and densities using the designated local correlation functional.

## NAME

sc::PW91XFunctional - The Perdew-Wang 1991 exchange functional computes energies and densities using the designated local correlation functional.

## SYNOPSIS

`#include <functional.h>`

Inherits **sc::DenFunctional**.

### Public Member Functions

**PW91XFunctional** (const **Ref**\< **KeyVal** \> &)\
 **PW91XFunctional** (**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.  int **need\_density\_gradient** ()\
 void **point** (const **PointInputData** &, **PointOutputData** &)\

### Protected Member Functions

void **spin\_contrib** (const **PointInputData::SpinData** &, double &mpw, double &dmpw\_dr, double &dmpw\_dg)\
 void **init\_constants** ()\

### Protected Attributes

double **a**\
 double **b**\
 double **c**\
 double **d**\
 double **a\_x**\

### Additional Inherited Members

## Detailed Description

The Perdew-Wang 1991 exchange functional computes energies and densities using the designated local correlation functional.

J. P. Perdew, Proceedings of the 75. WE-Heraeus-Seminar and 21st Annual International Symposium on Electronic Structure of Solids held in Gaussig (Germany), March 11-15, 1991, P. Ziesche and H. Eschrig, eds., pp. 11-20.

J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, and D. J. Singh, Phys. Rev. B, 46, 6671, 1992. \

## Member Function Documentation

### int sc::PW91XFunctional::need\_density\_gradient ()` [virtual]`

Reimplemented from **sc::DenFunctional**.

### void sc::PW91XFunctional::point (const PointInputData &, PointOutputData &)` [virtual]`

Implements **sc::DenFunctional**.

### void sc::PW91XFunctional::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::DenFunctional**.

## Author

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