Rao, Rajagopala T. ; Mahapatra, S. (2013) Theoretical study of ClH2− electron detachment spectroscopy revisited Chemical Physics Letters, 574 . pp. 24-31. ISSN 0009-2614
Full text not available from this repository.
Official URL: http://www.sciencedirect.com/science/article/pii/S...
Related URL: http://dx.doi.org/10.1016/j.cplett.2013.04.039
Abstract
Electron detachment spectroscopy of ClH2− and ClD2− is revisited in this paper. Franck–Condon transition from the ground vibrational level of the electronic ground state of the anion to the coupled electronic manifold of the neutral species is investigated by a time-dependent wave packet (WP) approach. Rich vibronic structures due to Cl…H2 continuum states at higher energies appeared in the photodetachment band in our previous study [Chem. Phys. Lett. 394 (2004) 207] are eliminated on improving the representation of the anionic wavefunction and the WP propagation algorithm. The theoretical findings are compared with the available experimental and theoretical results.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 98651 |
| Deposited On: | 17 Dec 2014 10:50 |
| Last Modified: | 17 Dec 2014 10:50 |
Repository Staff Only: item control page
