LOCAL EXCHANGE POTENTIAL FOR ATOMIC SYSTEMS

被引：11

作者：

BERRONDO, M

GOSCINSKI, O

机构：

[1] UNIV UPPSALA,QUANTUM CHEM GRP,S-75120 UPPSALA,SWEDEN

[2] UNIV MEXICO,INST FIS,MEXICO 20,DF,MEXICO

来源：

CHEMICAL PHYSICS LETTERS | 1979年 / 62卷 / 01期

关键词：

D O I：

10.1016/0009-2614(79)80406-6

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：

An approximate local potential for the exchange term is found for atomic systems. A functional form for the density matrix as a real exponential is assumed, in order to account for the nuclear attraction. The potential is obtained as the functional derivative of the exchange energy, imposing the idempotency condition on the density matrix. The resulting local potential has the correct asymptotic behaviour without the need of ad-hoc cut-off procedures, or additional assumptions. © 1979.

引用

页码：31 / 33

页数：3

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