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Lower bounds to energies for cusped-gaussian wavefunctionsCalculations for the ground states of H, He, and Be, conducted by Steiner and Sykes (1972), show that the inclusion of a very small number of cusp functions can lead to a substantial enhancement of the quality of the Gaussian basis used in molecular wavefunction computations. The properties of the cusped-Gaussian basis are investigated by a calculation of lower bounds concerning the ground state energy of the hydrogen atom.
Document ID
19750034865
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Eaves, J. O.
(Wisconsin, University Madison, Wis., United States)
Walsh, B. C.
Steiner, E.
(Exeter, University Exeter, United Kingdom)
Date Acquired
August 8, 2013
Publication Date
August 21, 1974
Publication Information
Publication: Journal of Physics
Subject Category
Atomic And Molecular Physics
Accession Number
75A18937
Funding Number(s)
CONTRACT_GRANT: NGL-50-002-001
Distribution Limits
Public
Copyright
Other

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