A MODIFIED BORN-OPPENHEIMER EQUATION - APPLICATION TO CONICAL INTERSECTIONS AND OTHER TYPES OF SINGULARITIES

Authors
BAER M ENGLMAN R
Citation
M. Baer et R. Englman, A MODIFIED BORN-OPPENHEIMER EQUATION - APPLICATION TO CONICAL INTERSECTIONS AND OTHER TYPES OF SINGULARITIES, Chemical physics letters, 265(1-2), 1997, pp. 105-108
Citations number
26
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
265
Issue
1-2
Year of publication
1997
Pages
105 - 108
Database
ISI
SICI code
0009-2614(1997)265:1-2<105:AMBE-A>2.0.ZU;2-C
Abstract
In this publication is presented a new treatment of conical intersecti on effects in molecular systems. It is shown that such effects, for a low enough energy, can be included in the ordinary Born-Oppenheimer ap proximation. A novel single-surface Schrodinger equation for treating the motion of nuclei results from this treatment. A method for solving this equation is discussed and it is shown that the solution is gover ned by a phase factor which is only reminiscent of the Berry phase but is different.