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A self‐consistent eikonal treatment of photodissociation by visible radiation
Author(s) -
Swaminathan P. K.,
Micha David A.
Publication year - 2009
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.560220838
Subject(s) - photodissociation , eikonal equation , dissociation (chemistry) , polyatomic ion , eikonal approximation , physics , electromagnetic field , electron , atomic physics , molecule , chemistry , quantum mechanics , photochemistry
A theoretical treatment of photodissociation of polyatomic molecules by visible radiation is developed, starting with an electron‐field representation, where the electromagnetic field is quantized. The dissociation dynamics are described with a generalized eikonal treatment that accounts for the self‐consistent coupling of quantal electronic transitions with classical nuclear motions, and that provides dissociation times. A simple model of C‐I bond breaking is developed to illustrate the theory. Results are presented for position, momenta, and electronic probabilities versus time, for two examples of photodissociation.