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Short-range interaction between hydrogen moleculesRecent calculations of the ground state energy of a system of four hydrogen atoms are reviewed with the aim of discerning the short-range repulsive part of the interaction potential between two hydrogen molecules. Extended-basis CI calculations which include a diffuse 2p orbital appear to be capable of determining the total interaction energy between to hydrogen molecules for any separation. Consistent results of such calculations suggest that the potential for intermolecular separations in the region from 1 to 2.5 A can now be specified to better than 10% with considerable confidence. Analytic fits to spherical averages of these results are presented.
Document ID
19740046945
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Mcmahan, A. K.
Beck, H.
Krumhansl, J. A.
(Cornell University Ithaca, N.Y., United States)
Date Acquired
August 7, 2013
Publication Date
May 1, 1974
Publication Information
Publication: Physical Review A - General Physics
Subject Category
Physics, Atomic, Molecular, And Nuclear
Accession Number
74A29695
Funding Number(s)
CONTRACT_GRANT: NGR-33-010-188
Distribution Limits
Public
Copyright
Other

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