Equivariant Morse theory of the N-body problem: Application to potential surfaces in chemistry

Abstract : The Morse inequalities linking the critical points of a potential function on the whole configuration space and its restrictions to either planar or linear configurations are derived from the Morse theory in its equivariant form. Brute potential functions arising from standard models of quantum chemistry need eventually morsification which can be achieved without altering the main chemical significances of the potential. Illustrative applications follow in the case of magnesium clusters. © 1993 Springer-Verlag.
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Theoretica Chimica Acta, 1993, 86 (4), pp.297-313. 〈10.1007/BF01128519〉
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D. Liotard, Michel Rérat. Equivariant Morse theory of the N-body problem: Application to potential surfaces in chemistry. Theoretica Chimica Acta, 1993, 86 (4), pp.297-313. 〈10.1007/BF01128519〉. 〈hal-01610626〉

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