New rovibrational kinetic energy operators using polyspherical coordinates for polyatomic molecules | Zendy

David W. Schwenke | Zendy

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New rovibrational kinetic energy operators using polyspherical coordinates for polyatomic molecules

Author(s) -

David W. Schwenke

Publication year - 2003

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.1574013

Subject(s) - rotational–vibrational spectroscopy , polyatomic ion , kinetic energy , molecule , potential energy , internal energy , energy (signal processing) , rotational energy , physics , classical mechanics , algebra over a field , computer science , mathematics , pure mathematics , quantum mechanics

We illustrate how one can easily derive kinetic energy operators for polyatomic molecules using polyspherical coordinates with very general choices for z-axis embeddings and angles used to specify relative orientations of internal vectors. Computer algebra is not required.

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