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The He2 potential at small distancesQuantum Monte Carlo methods have been used to determine the exact Born-Oppenheimer interaction energy of two helium atoms with internuclear separations between 0.5 and 1.8 A. There is reasonable agreement with potentials derived from scattering data, however the semiempirical Aziz potential is too repulsive for separation less than 1.8 A. A new potential for this region is proposed.
Document ID
19860036798
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Ceperley, D. M.
(California, University Livermore, United States)
Partridge, H.
(NASA Ames Research Center Moffett Field, CA, United States)
Date Acquired
August 12, 2013
Publication Date
January 15, 1986
Publication Information
Publication: Journal of Chemical Physics
Volume: 84
ISSN: 0021-9606
Subject Category
Atomic And Molecular Physics
Accession Number
86A21536
Funding Number(s)
CONTRACT_GRANT: W-7405-ENG-48
Distribution Limits
Public
Copyright
Other

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