✦ LIBER ✦

Numerical and analytical representations of Eulerian angle matrices for symmetric top molecules

✍ Scribed by H.C. Hsieh; W.C. Ermler

Publisher: Elsevier Science
Year: 1991
Tongue: English
Weight: 371 KB
Volume: 66
Category: Article
ISSN: 0010-4655
DOI: 10.1016/0010-4655(91)90075-v

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✦ Synopsis

A simple algorithm for the unambiguous transformation relating Cartesian and Eulerian coordinates of nuclei of symmetric top molecules is described. Algebraic relations involving Eulerian angles are exploited to provide the means for an internally consistent treatment of asymmetric and symmetric top molecules in the program SURVIBTM (Comput. Phys. Commun. 51 (1988) 257, CPC Program Library Catalogue No. ABDZ). An application to NH~is presented.