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Application of a Drude model to the binding of excess electrons to water clusters

Wang, F and Jordan, KD (2002) Application of a Drude model to the binding of excess electrons to water clusters. Journal of Chemical Physics, 116 (16). 6973 - 6981. ISSN 0021-9606

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Abstract

The Dang-Chang (DC) polarizable model for water was combined with a recently introduced model for describing the electron-molecule interactions. The resulting one-electron model potential approach was applied to (H2O)3- and (H2O)4-, and the results were compared with the predictions of ab initio CCSD(T) calculations.


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Details

Item Type: Article
Status: Published
Creators/Authors:
CreatorsEmailPitt UsernameORCID
Wang, F
Jordan, KDjordan@pitt.eduJORDAN
Date: 22 April 2002
Date Type: Publication
Journal or Publication Title: Journal of Chemical Physics
Volume: 116
Number: 16
Page Range: 6973 - 6981
DOI or Unique Handle: 10.1063/1.1461811
Schools and Programs: Dietrich School of Arts and Sciences > Chemistry
Refereed: Yes
ISSN: 0021-9606
Date Deposited: 29 Mar 2013 16:11
Last Modified: 02 Feb 2019 15:55
URI: http://d-scholarship.pitt.edu/id/eprint/17954

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