GIBBS-BOGOLIUBOV VARIATIONAL PRINCIPLE FOR BORN-OPPENHEIMER SYSTEMS

被引：2

作者：

GIRARDEAU, MD ^{[1
]}

机构：

[1] UNIV CALIF SANTA BARBARA, INST THEORET PHYS, SANTA BARBARA, CA 93106 USA

来源：

PHYSICAL REVIEW A | 1990年 / 41卷 / 08期

关键词：

D O I：

10.1103/PhysRevA.41.4496

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

A form of the Gibbs-Bogoliubov statistical-mechanical variational principle is enunciated that is well adapted to systems in which the electrons are treated quantum mechanically but the nuclei may be treated classically. An initial variational solution for fixed nuclear positions yields a statistical Born-Oppenheimer potential that serves as input for a variational evaluation of the nuclear configurational free energy. © 1990 The American Physical Society.

引用

页码：4496 / 4497

页数：2