Mondal, Chandan Kumar ; Das, K. K. ; Maji, K. ; Bhattacharyya, S. P. (2004) Photoionization dynamics from Cl2-: a one-electron model Chemical Physics Letters, 394 (1-3). pp. 215-219. ISSN 0009-2614
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Official URL: http://linkinghub.elsevier.com/retrieve/pii/S00092...
Related URL: http://dx.doi.org/10.1016/j.cplett.2004.06.111
Abstract
Quantum dynamics of photoionization from Cl2_ is investigated by constructing a purely one-electron model Hamiltonian of the anion calibrated with the help of ab initio theoretical calculations at the MRSD-CI level. A mean-field time-dependent Fourier grid Hamiltonian method is used to investigate the modulation of the dynamics of photoionization from Cl2_ caused by the coupling of electronic and nuclear motions. Vibrational quenching at low coupling strength is predicted to turn into vibrational enhancement of ionization at higher strengths of coupling.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 2994 |
| Deposited On: | 09 Oct 2010 10:23 |
| Last Modified: | 20 May 2011 06:57 |
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