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The B/K/ method - Application to methyleneThe B(K) method is compared with conventional Configuration Interaction (CI) and other perturbation methods for the 3B1 and 1A1 states of methylene. Use of Rayleigh-Schroedinger perturbation theory for construction of an effective Hamiltonian is seen to be more accurate for estimating the full CI energy limit.
Document ID
19810050880
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Davidson, E. R. (Washington Univ. Seattle, WA, United States)
Mcmurchie, L. E. (Washington Univ. Seattle, WA, United States)
Day, S. J. (Washington, University Seattle, Wash., United States)
Date Acquired
August 11, 2013
Publication Date
May 15, 1981
Publication Information
Publication: Journal of Chemical Physics
Volume: 74
Subject Category
Atomic And Molecular Physics
Accession Number
81A35284
Distribution Limits
Public
Copyright
Other

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