Many-body effects in Cu[sup 2+](H[sub 2]O)[sub m] clusters [electronic resource].
- Washington, D.C. : United States. Dept. of Energy, 1992. and Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy.
- Physical Description:
- Pages: (10 pages) : digital, PDF file
- Additional Creators:
- Argonne National Laboratory, United States. Department of Energy, and United States. Department of Energy. Office of Scientific and Technical Information
- Restrictions on Access:
- Free-to-read Unrestricted online access
- The importance of many-body interactions is investigated for m=4,6,8 in Cu[sup 2+](H[sub 2]O)m clusters using ab initio molecular orbital theory. A slow convergence of the interaction terms to the full many-body result is found similar to what was found in a previous study of Fe[sup 3+](H[sub 2]O)m clusters. Implications for molecular dynamics and Monte Carlo simulations are discussed.
- Published through SciTech Connect., 10/01/1992., "anl/cmt/cp-77775", " conf-921036--10", "DE93002988", 182. meeting of the Electrochemical Society, Toronto (Canada), 11-16 Oct 1992., and Curtiss, L.A.; Rodriguez, W.
- Funding Information:
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