EXCHANGE ENERGY IN THE EXACT EXCHANGE-ONLY DENSITY FUNCTIONAL THEORY

被引：50

作者：

NAGY, A

机构：

[1] Institute of Theoretical Physics, Kossuth Lajos University, Debrecen

来源：

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS | 1993年 / 26卷 / 01期

关键词：

D O I：

10.1088/0953-4075/26/1/004

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

The exchange energy is calculated for several atoms in the exact exchange-only density functional theory using the Levy-Perdew relation. The spin orbitals, the total energy and orbital energies are compared with the Hartree-Fock spin orbitals, total energy and orbital energies.

引用

页码：43 / 48

页数：6

共 15 条

[11] EXACT POTENTIAL-PHASE RELATION FOR THE GROUND-STATE OF THE C ATOM [J].