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The equivalence of the log derivative Kohn principle with the R-matrix method

✍ Scribed by Hans-Dieter Meyer

Publisher: Elsevier Science
Year: 1994
Tongue: English
Weight: 272 KB
Volume: 223
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(94)00474-9

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✦ Synopsis

The log derivative version of Kohn's variational principle, as discussed by Manolopoulos and Wyatt in 1988, is shown to be equivalent to the R-matrix method. Both methods yield identical S matrices when the same basis set is adopted. The working equations of both methods appear to be quite different at first glance, but we show that even here the relationship is much closer than one might have expected.

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