THE MULTI-CONFIGURATIONAL TIME-DEPENDENT HARTREE APPROACH

被引：1723

作者：

MEYER, HD

MANTHE, U

CEDERBAUM, LS

机构：

[1] Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 165卷 / 01期

关键词：

D O I：

10.1016/0009-2614(90)87014-I

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 multi-configurational approach to the time-dependent Schrödinger equation is proposed. This approach leads to working equations which are particularly simple and transparent. It can be used for n degrees of freedom and for any choice of the number of configurations. The new approach is tested on a model of coupled oscillators showing fast convergence towards the exact results as the number of configurations is increased. © 1990.

引用

页码：73 / 78

页数：6

共 21 条

[1] EXACT TIME-DEPENDENT QUANTUM-MECHANICAL DISSOCIATION DYNAMICS OF I2HE - COMPARISON OF EXACT TIME-DEPENDENT QUANTUM CALCULATION WITH THE QUANTUM TIME-DEPENDENT SELF-CONSISTENT (TDSCF) APPROXIMATION [J].