Dynamical basis sets for algebraic variational calculations in quantum-mechanical scattering theory

Yan Sun, Donald J. Kouri, Donald G. Truhlar, David W. Schwenke

Research output: Contribution to journalArticlepeer-review

54 Scopus citations

Abstract

We propose new basis sets for linear algebraic variational calculations of transition amplitudes for 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 Schlessingers 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.

Original languageEnglish (US)
Pages (from-to)4857-4862
Number of pages6
JournalPhysical Review A
Volume41
Issue number9
DOIs
StatePublished - Jan 1 1990

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