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KMID : 1059520070510020125
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Journal of the Korean Chemical Society
2007 Volume.51 No. 2 p.125 ~ p.128
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Numerov-Cooley Method on a Potential of NO Molecule
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Cho Seon-Woog
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Abstract
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In applying Numerov-Cooley method, Excel tool ‘Solver’ is used to match those two wave functions propagated inward and outward, respectively. It is numerically confirmed that the same eigenvalue is obtained by using the average of two energy values of each inward and outward wave functions. This method is applied to a NO molecule potential, and we calculated the variations of the average bond distance and tunneling for a given vibrational energy. It is found that the average bond lengths increase proportionately to the vibrational energy, while the tunneling is not so sensitive to the energy changes. Rather substantial amount of tunnel effect is found for every vibrational state.
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KEYWORD
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Numerov-Cooley Method, Matching Wavefunctions, NO Molecule, Average Bond Distances, Tunneling
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