ACCURATE 2ND-ORDER CORRELATION ENERGIES FOR MG AND AR

被引：13

作者：

FLORES, JR ^{[1
]}

REDONDO, P ^{[1
]}

机构：

[1] COLEGIO UNIV BURGOS,DEPT QUIM FIS,E-09002 BURGOS,SPAIN

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1993年 / 45卷 / 06期

关键词：

D O I：

10.1002/qua.560450607

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：

A p-version finite element method has been used to calculate second-order pair and total correlation energies for closed-shell Mg and Ar. Comparison with the best results found in the literature suggests that the present values are the most accurate and that the method should perform comparatively better for heavier elements.

引用

页码：563 / 572

页数：10

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