ACCURATE 2ND-ORDER CORRELATION ENERGIES OF HE AND BERYLLIUM

被引：26

作者：

MALINOWSKI, P

POLASIK, M

JANKOWSKI, K

机构：

[1] Institute of Physics, Nicholas Copernicus University

来源：

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS | 1979年 / 12卷 / 18期

关键词：

D O I：

10.1088/0022-3700/12/18/013

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Very accurate second-order correlation energies for the ground states of He and Be are computed within the framework of the variational-perturbation method with HO=HHF. Particular attention is given to the problem of eliminating the radial basis saturation errors. The upper bounds to the second-order energies are -0.03736 and -0.7629 au respectively, which amount to 88.86 and 80.86% of the total correlation energies. A comparison with results obtained by several different methods is presented.

引用

页码：2965 / 2969

页数：5

共 13 条

[1] ACCURATE DETERMINATION OF TOTAL ELECTRONIC-ENERGY OF BERYLLIUM GROUND-STATE [J].