Conical intersections (without geometrical phase) in ion-molecule collisions

Authors
Elizaga, D Errea, LF Macias, A Mendez, L Riera, A Rojas, A
Citation
D. Elizaga et al., Conical intersections (without geometrical phase) in ion-molecule collisions, J PHYS B, 32(24), 1999, pp. L697-L703
Citations number
31
Categorie Soggetti
Physics
Journal title
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
ISSN journal
09534075 → ACNP
Volume
32
Issue
24
Year of publication
1999
Pages
L697 - L703
Database
ISI
SICI code
0953-4075(199912)32:24<L697:CI(GPI>2.0.ZU;2-0
Abstract
We present an analysis of the structure of dynamical couplings in the vicin ity of conical intersections between potential energy surfaces that appear in the treatment of electron capture in ion-molecule collisions. While the use of geometrical phases can be avoided, rotational couplings between adia batic wavefunctions display a non-integrable singularity (a pole) at the co nical intersection, so that passage to a more smoothly varying basis is ind ispensable.