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KMID : 1059520160600030163
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Journal of the Korean Chemical Society
2016 Volume.60 No. 3 p.163 ~ p.168
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Range of DVR parameters for the Calculation of Vibrational Energy of Anharmonic Oscillators
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Jeon Ki-Young
Yang Min-O
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Abstract
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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.
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KEYWORD
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Vibration, Schrodinger equation, Numerical calculation, Anharmonic
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