2 resultados para QUANTUM-CLASSICAL DYNAMICS

em University of Connecticut - USA


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The molecular dynamical simulation of the normal vibrational mode of water which involves H-O-H angle deformation, when driven by an external force, can be used to see how a driven harmonic oscillator, classically, is associated with the infra-red spectrum of water (and the absorption for this particular normal mode).

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The classical harmonic oscillator and an elementary discussion of the quantum mechanical solutions for the harmonic oscillator are discussed.