THE CONVERGENCE OF THE DIRECT LATTICE SUMS IN THE RANDOM-PHASE-APPROXIMATION METHOD APPLIED TO PERIODIC INFINITE SYSTEMS

被引：10

作者：

CHAMPAGNE, B ^{[1
]}

MOSLEY, DH ^{[1
]}

ANDRE, JM ^{[1
]}

机构：

[1] UNIV FLORIDA,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611

来源：

CHEMICAL PHYSICS LETTERS | 1993年 / 210卷 / 1-3期

关键词：

D O I：

10.1016/0009-2614(93)89128-5

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：

The random phase approximation procedure applied to stereoregular polymers requires the evaluation of two types of two-electron integrals between crystal orbitals. Proofs are given in this work that for both types, the direct lattice sums converge. Infinite hydrogen chains are used as model examples.

引用

页码：232 / 242

页数：11

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