PROPERTIES OF NON-BLOCH LCAO WAVE-FUNCTIONS FOR CUBIC-CRYSTALS IN THEPRESENCE OF AN EXTERNAL ELECTRIC-FIELD

Authors
OLSZEWSKI S KWIATKOWSKI T
Citation
S. Olszewski et T. Kwiatkowski, PROPERTIES OF NON-BLOCH LCAO WAVE-FUNCTIONS FOR CUBIC-CRYSTALS IN THEPRESENCE OF AN EXTERNAL ELECTRIC-FIELD, International journal of quantum chemistry, 57(1), 1996, pp. 113-121
Citations number
27
Categorie Soggetti
Chemistry Physical
Journal title
International journal of quantum chemistry → ACNP
ISSN journal
00207608
Volume
57
Issue
1
Year of publication
1996
Pages
113 - 121
Database
ISI
SICI code
0020-7608(1996)57:1<113:PONLWF>2.0.ZU;2-G
Abstract
The non-Bloch LCAQ wave functions for cubic crystals are discussed and applied to the calculation of the matrix elements for electron transi tions in an external electric;field. The sum of transitions between no n-Bloch electron states is compared with the matrix element for a conv entional nearly free electron transition. (C) 1996 John Wiley & Sons, Inc.