Computation of Husimi intracules

被引：7

作者：

Besley, NA ^{[1
]}

机构：

[1] Univ Nottingham, Dept Chem, Nottingham NG7 2RD, England

来源：

CHEMICAL PHYSICS LETTERS | 2005年 / 409卷 / 1-3期

基金：

英国工程与自然科学研究理事会;

关键词：

D O I：

10.1016/j.cplett.2005.04.095

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 type of phase space intracule, called the Husimi intracule, is introduced. Husimi intracules are derived from the Husimi distribution and are closely related to Wigner intracules. The Husimi distribution contains the Heisenberg uncertainty principle within its definition. The corresponding intracules are everywhere positive and can be interpreted rigorously as a probability distribution. Husimi intracules for a few small atoms and H-2 are presented in order to illustrate their properties. (c) 2005 Elsevier B.V. All rights reserved.

引用

页码：63 / 69

页数：7

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