On the Dirac-Frenkel/McLachlan variational principle

被引：42

作者：

Raab, A ^{[1
]}

机构：

[1] Univ Heidelberg, Inst Phys Chem, D-69120 Heidelberg, Germany

来源：

CHEMICAL PHYSICS LETTERS | 2000年 / 319卷 / 5-6期

关键词：

D O I：

10.1016/S0009-2614(00)00200-1

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 Dirac-Frenkel/McLachlan variational principle (DFMVP) is re-derived using a general and strict formalism which is valid for ail practical applications. General equations of motion for the parameters are derived from the DFMVP. The time-dependent parameter set solving the equations of motion forms an approximate variational solution of the original problem. An error estimate for the approximation is presented which shows that the variational solution converges to the exact one if the parametrisation is improved. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：674 / 678

页数：5

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