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Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics: Theory and Computational Methods for Understanding Molecular Spectroscopy and Chemical Reactions (SpringerBriefs in Molecular Science)

Stavros C. Farantos




[PDF.xq41] Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics: Theory and Computational Methods for Understanding Molecular Spectroscopy and Chemical Reactions (SpringerBriefs in Molecular Science)

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 | #13011118 in Books |  Stavros Farantos |  2014-09-23 |  2014-10-08 | Original language:English | PDF # 1 |  9.25 x.41 x6.10l,.0 | File type: PDF | 158 pages

 | Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics Theory and Computational Methods for Understanding Molecular Spectroscopy and Chemical Reactions SpringerBriefs in Molecular Science

|

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.

Vibrationally excited and reacting molecules are nonlinear dynamical systems, and thus, nonlinear mechanics is the proper theory to elucidate molecular dynamics by inv...

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