Correlation energy of the neon atom

被引：57

作者：

Nesbet, R. K. ^{[1
]}

Barr, T. L. ^{[2
]}

Davidson, E. R. ^{[2
]}

机构：

[1] IBM Res Lab, San Jose, CA 95114 USA

[2] Univ Washington, Dept Chem, Seattle, WA 98105 USA

来源：

CHEMICAL PHYSICS LETTERS | 1969年 / 4卷 / 04期

关键词：

D O I：

10.1016/0009-2614(69)80101-6

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：

Pair correlation energies for the L-shell of Ne(S-1) are computed using an extended orbital basis set that includes spherical harmonics up to l = 6. The sum of pair energies is computed to be 105.2% of the empirical correlation energy. This result is expected to be close to the true variational limit.

引用

页码：203 / 204

页数：2

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