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On optimizing the treatment of exchange perturbations.Most theories of exchange perturbations would give the exact energy and wave function if carried out to an infinite order. However, the different methods give different values for the second-order energy, and different values for E(1), the expectation value of the Hamiltonian corresponding to the zeroth- plus first-order wave function. In the presented paper, it is shown that the zeroth- plus first-order wave function obtained by optimizing the basic equation which is used in most exchange perturbation treatments is the exact wave function for the perturbation system and E(1) is the exact energy.
Document ID
19720050593
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Hirschfelder, J. O.
(Wisconsin, University Madison, Wis., United States)
Chipman, D. M.
(California, University Santa Barbara, Calif., United States)
Date Acquired
August 6, 2013
Publication Date
June 1, 1972
Publication Information
Publication: Chemical Physics Letters
Volume: 14
Subject Category
Physics, Atomic, Molecular, And Nuclear
Accession Number
72A34259
Funding Number(s)
CONTRACT_GRANT: NSF GP-23764
CONTRACT_GRANT: DA-ARO(D)-31-G179
CONTRACT_GRANT: NGL-50-002-001
Distribution Limits
Public
Copyright
Other

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