HIERARCHICAL COMPUTATION OF ATOMIC CORRELATION ENERGIES USING A P-VERSION FINITE-ELEMENT METHOD

被引：19

作者：

FLORES, JR

机构：

[1] Departamento de Química-Física, Facultad de Ciencias

来源：

CHEMICAL PHYSICS LETTERS | 1992年 / 195卷 / 04期

关键词：

D O I：

10.1016/0009-2614(92)85620-P

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 new method is presented, based on a p-version finite element formalism, for calculating atomic second-order correlation energies using the Moller-Plesset approach. The method permits the definition of a hierarchic sequence of computations; this feature greatly simplifies the calculations via a simple adaptive technique. Results for He, Be and Ne are given and compared with the most accurate values available.

引用

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页码：377 / 382

页数：6

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