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Advances in Quantum Chemistry by Per-Olov Lowdin, Vincenzo Barone, Alessandro Lami, Erkki J. Brandas, Michael C. Zerner, John R. Sabin

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Hyperspherical coordinates for chemical reaction dynamics

Vincenzo Aquilanti; Gabriella Capecchi; Simonetta Cavalli    Dipartimento di Chimica, Università di Perugia I-06123 Perugia, Italy

Abstract

We present an introduction to various aspects of the hyperspherical approach to chemical reaction dynamics. The emphasis is on the choice of the coordinate systems for the study of the quantum mechanical problem of few interacting bodies. The treatment is appropriate when bonds break and form (as in chemical reactions) and also when large amplitude motions influence rovibrational spectra of polyatomic molecules and clusters. The development is kept at an elementary level and reference is made almost exclusively to the work carried out in our laboratory. ...

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