On the Dirac-Frenkel/McLachlan variational principle

Authors
Citation
A. Raab, On the Dirac-Frenkel/McLachlan variational principle, CHEM P LETT, 319(5-6), 2000, pp. 674-678
Citations number
17
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
319
Issue
5-6
Year of publication
2000
Pages
674 - 678
Database
ISI
SICI code
0009-2614(20000324)319:5-6<674:OTDVP>2.0.ZU;2-6
Abstract
The Dirac-Frenkel/McLachlan variational principle (DFMVP) is re-derived usi ng a general and strict formalism which is valid for ail practical applicat ions. General equations of motion for the parameters are derived from the D FMVP. The time-dependent parameter set solving the equations of motion form s an approximate variational solution of the original problem. An error est imate for the approximation is presented which shows that the variational s olution converges to the exact one if the parametrisation is improved. (C) 2000 Elsevier Science B.V. All rights reserved.