Angular dependence of dissociative electron attachment topolyatomic molecules: application to the 2B1 metastable state of the H2Oand H2S anions

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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 H2O but not in the case of H2S, 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 H2S, the final-vibrational-state-specific angular dependence of DEA is obtained by incorporating the variation of the angular dependence of the entrance amplitude with ... continued below

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Haxton, Daniel J.; McCurdy, C. William & Rescigno, Thomas N. January 12, 2006.

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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 H2O but not in the case of H2S, 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 H2S, 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 H2S, full quantum calculations of the nuclear dynamics using the Multi-Configuration Time-Dependent Hartree method, are performed.

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  • Journal Name: Physical Review A; Journal Volume: 73; Related Information: Journal Publication Date: 2006

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  • Report No.: LBNL--60000
  • Grant Number: DE-AC02-05CH11231
  • Office of Scientific & Technical Information Report Number: 899188
  • Archival Resource Key: ark:/67531/metadc888844

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  • January 12, 2006

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  • Sept. 22, 2016, 2:13 a.m.

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  • Sept. 29, 2016, 1:42 p.m.

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Haxton, Daniel J.; McCurdy, C. William & Rescigno, Thomas N. Angular dependence of dissociative electron attachment topolyatomic molecules: application to the 2B1 metastable state of the H2Oand H2S anions, article, January 12, 2006; Berkeley, California. (digital.library.unt.edu/ark:/67531/metadc888844/: accessed November 20, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.