A UNIFIED REVIEW OF BLOCH OPERATOR MODIFIED KOHN VARIATIONAL-METHODS

Authors
Citation
Hw. Jang et Jc. Light, A UNIFIED REVIEW OF BLOCH OPERATOR MODIFIED KOHN VARIATIONAL-METHODS, Molecular physics, 89(1), 1996, pp. 111-125
Citations number
23
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00268976
Volume
89
Issue
1
Year of publication
1996
Pages
111 - 125
Database
ISI
SICI code
0026-8976(1996)89:1<111:AUROBO>2.0.ZU;2-G
Abstract
A unified review of various Kohn variational methods for scattering ca lculations is presented using appropriate Bloch operators. Previous ex pressions are generalized slightly to use either an infinite range or a finite range of the scattering coordinate, or to use a basis set wit h non-fixed log derivative boundary conditions. A non-variational meth od (method of moments) is used in the derivations; the results are con firmed by Kohn variational derivations. Speculative linear variation f unctionals are introduced to connect both derivations. A model calcula tion of K (reactance) matrix is presented using a finite range and rea l algebra which is free of the so called 'Kohn anomaly', unlike the co nventional Kohn method for the K matrix.