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Nonlinear Hamiltonian mechanics applied to molecular dynamics: theory and computational methods for understanding molecular spectroscopy and chemical reactions
This brief presents numerical methods for describing and calculating invariant phase space structures, as well as solving the classical and quantum equations of motion for polyatomic molecules. Examples covered include simple model systems to realistic cases of molecules spectroscopically studied. V...
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| Lenguaje: | eng |
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Springer
2014
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| Acceso en línea: | http://cds.cern.ch/record/2279062 |