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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 53, 1984 - Issue 4
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Original Articles

A variational description of the vibrational states of triatomic molecules using numerical wavefunctions

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Pages 917-927 | Received 16 Jan 1984, Accepted 20 Jun 1984, Published online: 22 Aug 2006
 

Abstract

A variational procedure using numerical wavefunctions is presented for the determination of the vibrational frequencies of triatomic molecules. The procedure is applicable to both linear and bent molecules, which is demonstrated by application to the systems H2O, SO2 and HCN.

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