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Properties of non‐Bloch LCAO wave functions for cubic crystals in the presence of an external electric field
Author(s) -
Olszewski S.,
Kwiatkowski T.
Publication year - 1996
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1996)57:1<113::aid-qua13>3.0.co;2-9
Subject(s) - linear combination of atomic orbitals , bloch wave , electric field , wave function , matrix element , condensed matter physics , matrix (chemical analysis) , electron , field (mathematics) , physics , quantum mechanics , atomic physics , chemistry , mathematics , atomic orbital , pure mathematics , particle physics , chromatography
The non‐Bloch LCAO wave functions for cubic crystals are discussed and applied to the calculation of the matrix elements for electron transitions in an external electric field. The sum of transitions between non‐Bloch electron states is compared with the matrix element for a conventional nearly free electron transition. © 1996 John Wiley & Sons, Inc.