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Spherical hybrids
Author(s) -
Hall G. G.,
Rees D.
Publication year - 1997
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(1997)63:1<197::aid-qua21>3.0.co;2-8
Subject(s) - quadrature (astronomy) , mathematics , interpolation (computer graphics) , alias , combinatorics , point (geometry) , spherical harmonics , physics , mathematical analysis , computer science , geometry , optics , classical mechanics , motion (physics) , database
A general solution is presented to the problem of finding hybrid functions which point from the center toward the vertices of a regular solid. Results are given for the examples of 6, 8, 12, and 24 vertices. By taking linear combinations with suitable alias functions, the hybrids have been given nodes passing through all vertices except their own. This allows them to be used for interpolation and quadrature. The various functions required are defined as solid harmonics and group theoretical methods of generating these are discussed fully. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 63: 197–214, 1997