• Journal of the Korean Chemical Society
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• v.57 no.6
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• pp.869-873
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• 2013

• Journal of applied mathematics & informatics
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• v.9 no.1
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• pp.321-330
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• 2002

We apply an Intermediate Problem Method to compute eigenvalues of an anharmonic oscillator. The method produces lower bounds to the eigenvalues while the Rayleigh-Ritz method yields upper bounds. We show the convergence rate of the Intermediate Problem Method is the same as the rate of the Rayleigh-Ritz method.

• Bulletin of the Korean Chemical Society
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• v.22 no.7
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• pp.721-726
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• 2001

The vibrational transition probability expressions for the forced Morse oscillator have been derived using the commutation relations of the anharmonic Boson operators. The formulation is based on the collinear collision model with the exponential repulsive potential in the framework of semiclassical collision dynamics. The sample calculation results for H2+ He collision system, where the anharmonicity is large, are in excellent agreement with those from an exact, numerical quantum mechanical study by Clark and Dickinson, using the reactance matrix. Our results, however, are markedly different from those of Ree, Kim and Shin's in which they approximate the commutation operator I。 as unity, the harmonic oscillator limit. We have concluded that the quantum number dependence in I。 must be retained to get accurate vibrational transition probabilities for the Morse oscillator.

• Journal of the Korean Chemical Society
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• v.59 no.4
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• pp.358-363
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• 2015

• Journal of the Korean Chemical Society
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• v.60 no.3
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• pp.163-168
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• 2016

We summarize the discrete variable representation method which is a simple numerical method enabling us to calculate the vibrational energies and wave functions of anharmonic oscillators. The ranges of its parameters well-performing for the calculation of fundamental and overtone transition energies are predicted by analyzing the model of Morse oscillator.