Premium
Localized functions on a sphere
Author(s) -
Rees D.,
Hall G. G.
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)60:1<99::aid-qua11>3.0.co;2-2
Subject(s) - octahedron , tetrahedron , cube (algebra) , valence (chemistry) , coordination sphere , basis (linear algebra) , physics , theoretical physics , crystallography , chemistry , mathematics , combinatorics , geometry , quantum mechanics , ion
This article provides a fully consistent group theoretical procedure for finding atomic hybrids on a sphere and for relating them to the matrices representing the operators x , y , and z with respect to given basis functions. The tetrahedral, octahedral, and cubic hybrids based on the cube are derived. These functions are localized and directional. They can be used to describe valence aspects of atoms. © 1996 John Wiley & Sons, Inc.