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Dynamical basis sets for algebraic variational calculations in quantum-mechanical scattering theoryNew basis sets are proposed for linear algebraic variational calculations of transition amplitudes in quantum-mechanical scattering problems. These basis sets are hybrids of those that yield the Kohn variational principle (KVP) and those that yield the generalized Newton variational principle (GNVP) when substituted in Schlessinger's stationary expression for the T operator. Trial calculations show that efficiencies almost as great as that of the GNVP and much greater than the KVP can be obtained, even for basis sets with the majority of the members independent of energy.
Document ID
19900048844
Document Type
Reprint (Version printed in journal)
Authors
Sun, Yan (Houston Univ. TX, United States)
Kouri, Donald J. (Houston, University TX, United States)
Truhlar, Donald G. (Minnesota, University Minneapolis, United States)
Schwenke, David W. (NASA Ames Research Center Moffett Field, CA, United States)
Date Acquired
August 14, 2013
Publication Date
May 1, 1990
Publication Information
Publication: Physical Review A - Atomic, Molecular, and Optical Physics, 3rd Series
Volume: 41
ISSN: 0556-2791
Subject Category
NUCLEAR AND HIGH-ENERGY PHYSICS
Funding Number(s)
CONTRACT_GRANT: NSF RII-86-10679
Distribution Limits
Public
Copyright
Other