Angular dependence of dissociative electron attachment to polyatomic molecules: Application to the {sup 2}B{sub 1} metastable state of the H{sub 2}O and H{sub 2}S anions
- Department of Chemistry, University of California, Berkeley, California 94720 (United States)
- Lawrence Berkeley National Laboratory, Chemical Sciences, Berkeley, California 94720 (United States)
The angular dependence of dissociative electron attachment (DEA) to polyatomic targets is formulated in the local complex potential model, under the assumption that the axial recoil approximation describes the dissociation dynamics. An additional approximation, which is found to be valid in the case of H{sub 2}O but not in the case of H{sub 2}S, makes it possible to describe the angular dependence of DEA solely from an analysis of the fixed-nuclei entrance amplitude, without carrying out nuclear dynamics calculations. For H{sub 2}S, the final-vibrational-state-specific angular dependence of DEA is obtained by incorporating the variation of the angular dependence of the entrance amplitude with nuclear geometry into the nuclear dynamics. Scattering calculations using the complex Kohn method and, for H{sub 2}S, full quantum calculations of the nuclear dynamics using the multiconfiguration time-dependent Hartree method, are performed.
- OSTI ID:
- 20787516
- Journal Information:
- Physical Review. A, Vol. 73, Issue 6; Other Information: DOI: 10.1103/PhysRevA.73.062724; (c) 2006 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1050-2947
- Country of Publication:
- United States
- Language:
- English
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