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Range of DVR parameters for the Calculation of Vibrational Energy of Anharmonic Oscillators
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 Title & Authors
Range of DVR parameters for the Calculation of Vibrational Energy of Anharmonic Oscillators
Jeon, Kiyoung; Yang, Mino;
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 Abstract
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.
 Keywords
Vibration;Schrödinger equation;Numerical calculation;Anharmonic;
 Language
Korean
 Cited by
1.
Dimension of discrete variable representation for mixed quantum/classical computation of three lowest vibrational states of OH stretching in liquid water, The Journal of Chemical Physics, 2017, 146, 5, 054107  crossref(new windwow)
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