CALCULATING THE KELDYSH ADIABATICITY PARAMETER FOR ATOMIC, DIATOMIC, AND POLYATOMIC-MOLECULES

Citation
Mj. Dewitt et Rj. Levis, CALCULATING THE KELDYSH ADIABATICITY PARAMETER FOR ATOMIC, DIATOMIC, AND POLYATOMIC-MOLECULES, The Journal of chemical physics, 108(18), 1998, pp. 7739-7742
Citations number
17
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
108
Issue
18
Year of publication
1998
Pages
7739 - 7742
Database
ISI
SICI code
0021-9606(1998)108:18<7739:CTKAPF>2.0.ZU;2-0
Abstract
A numerical model is presented to determine the Keldysh adiabaticity p arameter for the interaction of an intense laser with a polyatomic mol ecule. The adiabaticity parameter is a guide to determining whether th e ionization process is in the field or multiphoton ionization regime. The adiabaticity parameters are compared for potentials including the simple zero-range potential, the Coulomb potential, an atomic potenti al (Xe), a diatomic (N-2) molecular potential, and a polyatomic (C6H6) molecular potential. It is demonstrated that the Coulomb potential is approximately equal to the atomic and diatomic potentials and differs from the zero-range potential employed in the Keldysh model in a way which is predominantly dependent upon the ionization potential. Both s imple models substantially overestimate the adiabaticity parameter for C6H6 at all field strengths and at fields above 1.25 V/Angstrom both simple models become completely unphysical. This is because barrier su ppression ionization is predicted to occur for benzene above 1.25 V/An gstrom using the ab initio potential. This field for barrier suppressi on ionization is significantly lower than the 1.5 V/Angstrom field pre dicted using the Coulomb model. (C) 1998 American Institute of Physics .