New vibration–rotation code for tetraatomic molecules exhibiting wide-amplitude motion: WAVR4

Abstract A general computational method for the accurate calculation of rotationally and vibrationally excited states of tetraatomic molecules is developed. The resulting program is particularly appropriate for molecules executing wide-amplitude motions and isomerizations. The program offers a choic...

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Bibliographische Detailangaben

1. Verfasser:	Kozin, Igor N.
Format:	Dataset
Sprache:	eng
Schlagworte:	Computational Physics Molecular Physics Physical Chemistry
Online-Zugang:	Volltext bestellen
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