.TH "sc::PW91CFunctional" 3 "Sun Oct 4 2020" "Version 2.3.1" "MPQC" \" -*- nroff -*- .ad l .nh .SH NAME sc::PW91CFunctional \- The Perdew-Wang 1991 correlation functional computes energies and densities using the designated local correlation functional\&. .SH SYNOPSIS .br .PP .PP \fC#include \fP .PP Inherits \fBsc::DenFunctional\fP\&. .SS "Public Member Functions" .in +1c .ti -1c .RI "\fBPW91CFunctional\fP (const \fBRef\fP< \fBKeyVal\fP > &)" .br .ti -1c .RI "\fBPW91CFunctional\fP (\fBStateIn\fP &)" .br .ti -1c .RI "void \fBsave_data_state\fP (\fBStateOut\fP &)" .br .RI "Save the base classes (with save_data_state) and the members in the same order that the \fBStateIn\fP CTOR initializes them\&. " .ti -1c .RI "int \fBneed_density_gradient\fP ()" .br .ti -1c .RI "void \fBpoint\fP (const \fBPointInputData\fP &, \fBPointOutputData\fP &)" .br .ti -1c .RI "void \fBset_spin_polarized\fP (int)" .br .in -1c .SS "Protected Member Functions" .in +1c .ti -1c .RI "void \fBinit_constants\fP ()" .br .ti -1c .RI "double \fBlimit_df_drhoa\fP (double rhoa, double gamma, double ec, double decdrhoa)" .br .in -1c .SS "Protected Attributes" .in +1c .ti -1c .RI "\fBRef\fP< \fBLSDACFunctional\fP > \fBlocal_\fP" .br .ti -1c .RI "double \fBa\fP" .br .ti -1c .RI "double \fBb\fP" .br .ti -1c .RI "double \fBc\fP" .br .ti -1c .RI "double \fBd\fP" .br .ti -1c .RI "double \fBalpha\fP" .br .ti -1c .RI "double \fBc_c0\fP" .br .ti -1c .RI "double \fBc_x\fP" .br .ti -1c .RI "double \fBnu\fP" .br .in -1c .SS "Additional Inherited Members" .SH "Detailed Description" .PP The Perdew-Wang 1991 correlation 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\&. .PP 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\&. .br .SH "Member Function Documentation" .PP .SS "void sc::PW91CFunctional::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\&. .PP Reimplemented from \fBsc::DenFunctional\fP\&. .SH "Author" .PP Generated automatically by Doxygen for MPQC from the source code\&.