Authors
Citation
M. Baer et R. Englman, Electronic non-adiabatic transitions: the line integral and approximations, CHEM P LETT, 335(1-2), 2001, pp. 85-88
Citations number
19
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614
→ ACNP
Volume
335
Issue
1-2
Year of publication
2001
Pages
85 - 88
Database
ISI
SICI code
0009-2614(20010216)335:1-2<85:ENTTLI>2.0.ZU;2-H
Abstract
In this Letter is considered a reduced molecular manifold which is weakly c
oupled to several external states. It is shown, that if these couplings are
of the order of epsilon, the adiabatic-to-diabatic transformation matrix A
(s), as obtained by solving the line integral within the reduced manifold,
as well as the corresponding diabatic potentials are perturbed to the exten
t of O(epsilon (2)). (C) 2001 Elsevier Science B.V. All rights reserved.