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Frequency map analysis and scars in molecular vibrations
Author(s) -
Losada J. C.,
Benito R. M.,
Arranz F. J.,
Borondo F.
Publication year - 2001
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.1620
Subject(s) - generality , phase space , quantum , bending , space (punctuation) , chaotic , work (physics) , molecular dynamics , physics , resonance (particle physics) , vibration , chemistry , computational chemistry , theoretical physics , classical mechanics , quantum mechanics , thermodynamics , computer science , psychology , artificial intelligence , psychotherapist , operating system
In a previous paper [ J Chem Phys 1998, 108 , 63], an analysis of the phase space structure of the isomerizing molecular system LiNC/LiCN was presented, with the conclusion that the chaotic region was extremely influenced by the dynamics associated to a 1:8 resonance between the stretching LiCN and the bending modes. This result was inferred based on a very restricted calculation. In this work we generalize our previous study in order to assess the generality of our former conclusion. The quantum implications of this finding are also addressed. © 2002 John Wiley & Sons, Inc. Int J Quantum Chem, 2001
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