Three-body breakup in dissociative electron attachment to the water molecule

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We report the results of {\em ab initio} calculations on dissociative electron attachment (DEA) to water that demonstrate the importance of including three-body breakup in the dissociation dynamics. While three-body breakup is ubiquitous in the analogous process of dissociative recombination, its importance in low-energy dissociative electron attachment to a polyatomic target has not previously been quantified. Our calculations, along with our earlier studies of DEA into two-body channels, indicate that three-body breakup is a major component of the observed O- cross section. The local complex potential model provides a generally accurate picture of the experimentallyobserved features in this system, reproducing ... continued below

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Haxton, Daniel J.; Rescigno, Thomas N. & McCurdy, C. William August 28, 2008.

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We report the results of {\em ab initio} calculations on dissociative electron attachment (DEA) to water that demonstrate the importance of including three-body breakup in the dissociation dynamics. While three-body breakup is ubiquitous in the analogous process of dissociative recombination, its importance in low-energy dissociative electron attachment to a polyatomic target has not previously been quantified. Our calculations, along with our earlier studies of DEA into two-body channels, indicate that three-body breakup is a major component of the observed O- cross section. The local complex potential model provides a generally accurate picture of the experimentallyobserved features in this system, reproducing some quantitatively, others qualitatively, and one not at all.

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  • Journal Name: Physical Review A

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  • Report No.: LBNL-897E
  • Grant Number: DE-AC02-05CH11231
  • Office of Scientific & Technical Information Report Number: 938521
  • Archival Resource Key: ark:/67531/metadc896807

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  • August 28, 2008

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  • Sept. 27, 2016, 1:39 a.m.

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  • Sept. 30, 2016, 7:17 p.m.

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Haxton, Daniel J.; Rescigno, Thomas N. & McCurdy, C. William. Three-body breakup in dissociative electron attachment to the water molecule, article, August 28, 2008; Berkeley, California. (digital.library.unt.edu/ark:/67531/metadc896807/: accessed September 20, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.