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Potential surface crossings for diatomic molecules
Author(s) -
Berrondo M.,
Rojas D. H.
Publication year - 1975
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560090112
Subject(s) - diatomic molecule , diabatic , dissociation (chemistry) , chemistry , atomic physics , molecule , scattering , physics , adiabatic process , quantum mechanics
We study the nonradiative processes in diatomic molecules produced by a potential surface crossing in terms of a generalized optical potential containing an absorptive and a resonant part. The theory is applicable to inelastic atomic scattering, predissociation, accidental predissociation and collisionally induced dissociation. The coupling term between the electronic surfaces (in the diabatic representation) is evaluated semiclassically in terms of the “inelastic action” s . While the Landau–Zener formula is obtained from a linearized function of s , a more realistic form is proposed as a rational fraction in s .