Application of the quasiminimum principle to calculations on electron scattering by atomic hydrogen

Donald G. Truhlar, Richard L. Smith

Research output: Contribution to journalArticle

8 Scopus citations

Abstract

Variational lower bounds are calculated for the phase shifts for e - H scattering using algebraic procedures. This is the first numerical application of Hahn's recent quasiminimum principle (QMP). The basis-function-expansion approach to the close-coupling method is used to compute the phase shifts. It is found that the QMP is a useful principle for obtaining a bound using the Nesbet and minimum-norm algebraic variational principles but that the monotonic convergence may be lost using the Kohn and inverse-Kohn algebraic variational principles.

Original languageEnglish (US)
Pages (from-to)233-239
Number of pages7
JournalPhysical Review A
Volume6
Issue number1
DOIs
StatePublished - Jan 1 1972

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