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Importance of parametrizing constraints in quantum-mechanical variational calculationsIn variational calculations of quantum mechanics, constraints are sometimes imposed explicitly on the wave function. These constraints, which are deduced by physical arguments, are often not uniquely defined. In this work, the advantage of parametrizing constraints and letting the variational principle determine the best possible constraint for the problem is pointed out. Examples are carried out to show the surprising effectiveness of the variational method if constraints are parameterized. It is also shown that misleading results may be obtained if a constraint is not parameterized.
Document ID
19920042839
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Chung, Kwong T.
(Academia Sinica, Institute of Atomic and Molecular Sciences, Taipei Republic of China, United States)
Bhatia, A. K.
(NASA Goddard Space Flight Center Greenbelt, MD, United States)
Date Acquired
August 15, 2013
Publication Date
February 1, 1992
Publication Information
Publication: Physical Review A
Volume: 45
ISSN: 1050-2947
Subject Category
Thermodynamics And Statistical Physics
Accession Number
92A25463
Funding Number(s)
PROJECT: RTOP 188-38-53-14
CONTRACT_GRANT: NSF PHY-90-20543
Distribution Limits
Public
Copyright
Other

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