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Dipole induced photodetachment dynamics of halide anions
Author(s) -
Mondal Chandan Kumar
Publication year - 2007
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.21367
Subject(s) - dipole , hamiltonian (control theory) , ion , halide , chemistry , atomic physics , ionization , ground state , physics , inorganic chemistry , mathematical optimization , mathematics , organic chemistry
In this article the dynamics of photodetachment from closed shell anion in the presence of two color (bichromatic) laser field have been explored in the context of polar environmental situation. The electronic states of halide ions are modeled by a one dimensional Hamiltonian with a potential V (x) = − V 0 e −σx 2. The two parameters V 0 and σ are fixed by requiring V (x) to reproduce the experimentally observed ground state ionization energy of the halide ion concerned. The potential so generated are shown to support only one bound state. The time‐dependent Fourier grid Hamiltonian method is used to follow the detachment dynamics with fairly high intensities of light. The environmental effects on the dynamics are sought to be modeled by two ways i) allowing the well depth ( V 0 ) to fluctuate randomly V 0 (t) = V 0 [1+Δ V R( t )]; R ( t ) randomly fluctuates between +1 and −1 with time, when Δ V (strength of fluctuation) is fixed and ii) in the presence of perturbation produced by a neighboring solvent dipole, which changes the effective potential. The detachment rate constant is studied as a function of important system parameters of the used light field. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2008