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Computer generation of nuclear spin species and nuclear spin statistical weights
Author(s) -
Balasubramanian K.
Publication year - 1982
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.540030113
Subject(s) - spin (aerodynamics) , character (mathematics) , table (database) , computer program , statistical analysis , physics , character table , nuclear physics , statistical physics , computer science , atomic physics , mathematics , statistics , thermodynamics , data mining , geometry , operating system
This article develops computer programs for computer generation of nuclear spin species and nuclear spin statistical weights of rovibronic levels. The programs developed here generate nuclear spin species and statistical weights from the group structures known as generalized character cycle indices ( GCCI s) which are computed easily from the character table of the PI group of the molecule under consideration. Procedures are illustrated with examples.