Proposal for a modified Moller-Plesset perturbation theory -: art. no. 012510

被引：3

作者：

Cabo, A

Claro, F

Menéndez-Proupin, E

Cruz-Hernández, N

Fernández-Sanz, J

机构：

[1] INst Cibernet Matemat & Fis, Grp Fis Teor, Havana, Cuba

[2] Pontificia Univ Catolica Chile, Fac Fis, Santiago 4860, Chile

[3] Univ Chile, Dept Fis, Fac Ciencias, Santiago 7800024, Chile

[4] Univ Seville, Dept Quim Fis, Fac Quim, E-41012 Seville, Spain

来源：

PHYSICAL REVIEW A | 2006年 / 73卷 / 01期

关键词：

D O I：

10.1103/PhysRevA.73.012510

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

A modified version of the Moller-Plesset approach for obtaining the correlation energy associated with a Hartree-Fock ground state is proposed. The method is tested in a model of interacting fermions that allows for an exact solution. Using up to third order terms improved results are obtained, even in the limit of loosely bound particles. Tested in molecules as well, the modified method appears to give improved results in symmetric systems.

引用

页数：5

共 13 条

[1] New integral transforms for molecular properties and application to a massively parallel GIAO-SCF implementation [J].