2ND-ORDER CORRELATION ENERGIES OF MG AND AR

被引：36

作者：

JANKOWSKI, K ^{[1
]}

MALINOWSKI, P ^{[1
]}

POLASIK, M ^{[1
]}

机构：

[1] UNIV WATERLOO, DEPT APPL MATH, QUANTUM THEORY GRP, WATERLOO N2L 3G1, ONTARIO, CANADA

来源：

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS | 1979年 / 12卷 / 19期

关键词：

D O I：

10.1088/0022-3700/12/19/004

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

An extensive variational-perturbation study of the second-order correlation energies of Mg and Ar is made to analyse the nature of various correlation effects. The variational-perturbation symmetry-adapted pair functions are taken in the form of partial-wave expansions. The results for the partial-wave energy increments, pair energies and total correlation energies are compared with related results. Special attention is paid to the M-intrashell and KM- and LM-intershell correlation effects. For the first time ab initio total correlation energies are obtained for atoms containing M-shell electrons. The results: E2Mg=-0.4279 and E2 Ar=-0.7060 au agree very well with the estimates of the total correlation energies.

引用

页码：3157 / 3170

页数：14

共 30 条

[1]

Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1

[2] ATOMIC CORRELATION ENERGIES II - CONVERGED E(2) VALUES FOR NE AND NE+ [J].