.TH "sc::PBECFunctional" 3 "Sun Oct 4 2020" "Version 2.3.1" "MPQC" \" -*- nroff -*-
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.SH NAME
sc::PBECFunctional \- Implements the Perdew-Burke-Ernzerhof (PBE) correlation functional\&.  

.SH SYNOPSIS
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.PP
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\fC#include <functional\&.h>\fP
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Inherits \fBsc::DenFunctional\fP\&.
.SS "Public Member Functions"

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.RI "\fBPBECFunctional\fP (const \fBRef\fP< \fBKeyVal\fP > &)"
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.RI "\fBPBECFunctional\fP (\fBStateIn\fP &)"
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.RI "void \fBsave_data_state\fP (\fBStateOut\fP &)"
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.RI "Save the base classes (with save_data_state) and the members in the same order that the \fBStateIn\fP CTOR initializes them\&. "
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.RI "int \fBneed_density_gradient\fP ()"
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.RI "void \fBpoint\fP (const \fBPointInputData\fP &, \fBPointOutputData\fP &)"
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.RI "void \fBset_spin_polarized\fP (int)"
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.SS "Protected Member Functions"

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.RI "void \fBinit_constants\fP ()"
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.RI "double \fBrho_deriv\fP (double rho_a, double rho_b, double mdr, double ec_local, double ec_local_dra)"
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.RI "double \fBgab_deriv\fP (double rho, double phi, double mdr, double ec_local)"
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.SS "Protected Attributes"

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.RI "\fBRef\fP< \fBLSDACFunctional\fP > \fBlocal_\fP"
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.RI "double \fBgamma\fP"
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.RI "double \fBbeta\fP"
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.SS "Additional Inherited Members"
.SH "Detailed Description"
.PP 
Implements the Perdew-Burke-Ernzerhof (PBE) correlation functional\&. 

John P\&. Perdew, Kieron Burke, and Yue Wang, Phys\&. Rev\&. B, 54(23), pp\&. 16533-16539, 1996\&.
.PP
John P\&. Perdew, Kieron Burke, and Matthias Ernzerhof, Phys\&. Rev\&. Lett\&., 77(18), pp\&. 3865-3868, 1996\&. 
.SH "Member Function Documentation"
.PP 
.SS "void sc::PBECFunctional::save_data_state (\fBStateOut\fP &)\fC [virtual]\fP"

.PP
Save the base classes (with save_data_state) and the members in the same order that the \fBStateIn\fP CTOR initializes them\&. This must be implemented by the derived class if the class has data\&. 
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Reimplemented from \fBsc::DenFunctional\fP\&.

.SH "Author"
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Generated automatically by Doxygen for MPQC from the source code\&.