COMPUTATION OF THE 2ND-ORDER CORRELATION ENERGIES OF NE USING A FINITE-ELEMENT METHOD

被引：23

作者：

FLORES, JR

机构：

[1] Departamento de Química-Física, Facultad de Ciencias, 47005, Valladolid

来源：

PHYSICAL REVIEW A | 1992年 / 46卷 / 09期

关键词：

D O I：

10.1103/PhysRevA.46.6063

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

A p-version finite-element method is applied within the Moller-Plesset formalism [Phys. Rev. 46, 618 (1934)] to calculate accurate second-order pair and total correlation energies. Radial limits of the second-order correlation energy up to l = 12 are given, and careful angular-extrapolation procedures have been applied to obtain results which are expected to be accurate to +/-2 X 10(-5) hartree.

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页码：6063 / 6066

页数：4

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