PERTURBATION CALCULATION OF ATOMIC CORRELATION ENERGIES FOR THE 1ST TRANSITION PERIOD

被引：26

作者：

GUSE, M ^{[1
]}

OSTLUND, NS ^{[1
]}

BLYHOLDER, GD ^{[1
]}

机构：

[1] UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701

来源：

CHEMICAL PHYSICS LETTERS | 1979年 / 61卷 / 03期

关键词：

D O I：

10.1016/0009-2614(79)87165-1

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Results are presented for calculations of Hartree-Fock and correlation energies for the 3dn 4s2 and 3dn+1 4s ground and excited states of the first transition series atoms using second-order Møller-Plesset perturbation theory starting with an unrestricted Hartree-Fock wavefunction. © 1979.

引用

页码：526 / 531

页数：6

共 7 条

[1] MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES [J].