6 resultados para HARMONIC INVERSION

em University of Connecticut - USA


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

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The guessing of eigenfunctions is not trivial at higher quantum numbers, no matter what the system being considered. Instead of guessing, one can employ a symbolic calculus progam (Maple in this case) to aid in the reasoning process.

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The Frobenius solution to the differential equations associated with the harmonic oscillator (QM) is carried out in detail.

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This is a set of P. Chem. problems posed at slightly higher than the normal text book level, for students who are continuing in the study of this subject.

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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 HCl molecule is simulated (using Maple) in its dynamics, for both vibrational (and implied) rotational motions. A discussion of the center of mass transformations involved is part of the total presentation.