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Symmetry Orbitals and UV Selection Rules for the Polymethylene Chain
Author(s) -
McCubbin W. L.
Publication year - 1966
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.19660160129
Subject(s) - selection (genetic algorithm) , symmetry (geometry) , atomic orbital , conjecture , basis (linear algebra) , chain (unit) , work (physics) , theoretical physics , chemistry , computational chemistry , chemical physics , physics , pure mathematics , mathematics , quantum mechanics , computer science , artificial intelligence , geometry , electron
Basis functions for irreducible representations of the line group of polymethylene chain are presented. This work confirms the general features of a semi‐quantitative band structure given previously. The UV selection rules are derived and are found to support the earlier conjecture that the transition probability for optical transitions to the first unoccupied band is negligible. It is pointed out that the selection rules may also be used to predict the dichroism of the polymethylene crystal.