Potential energy surfaces for stable triatomic molecules using an algebraic Hamiltonian

I. Benjamin; R. D. Levine

doi:10.1016/0009-2614(85)85235-0

Potential energy surfaces for stable triatomic molecules using an algebraic Hamiltonian

I. Benjamin^*, R. D. Levine

^*Corresponding author for this work

Institute of Chemistry

Research output: Contribution to journal › Article › peer-review

38 Scopus citations

Abstract

A coordinate representation for a potential energy surface is derived using the semiclassical limit of the algebraic Hamiltonian. This provides a direct route from the observed overtone spectrum to a potential. The limitations of this potential are noted. Applications to HCN, H₂O, SO₂ and O₃ are reported.

Original language	English
Pages (from-to)	314-320
Number of pages	7
Journal	Chemical Physics Letters
Volume	117
Issue number	4
DOIs	https://doi.org/10.1016/0009-2614(85)85235-0
State	Published - 21 Jun 1985

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AB - A coordinate representation for a potential energy surface is derived using the semiclassical limit of the algebraic Hamiltonian. This provides a direct route from the observed overtone spectrum to a potential. The limitations of this potential are noted. Applications to HCN, H2O, SO2 and O3 are reported.

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Potential energy surfaces for stable triatomic molecules using an algebraic Hamiltonian

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