Journal
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A
Volume 87, Issue 2, Pages 216-224Publisher
MAIK NAUKA/INTERPERIODICA/SPRINGER
DOI: 10.1134/S0036024413020040
Keywords
nuclear Schrodinger equation; Numerov method; vibrational and vibration-rotation energy levels; empirical potential function; homonuclear diatomic molecule; F-2 molecule; quantum engineering
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Funding
- Institute for Advanced Studies of Iran
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Many empirical potential energy functions have been modeled to represent the potential energy function of a diatomic molecule along whole range of internuclear distance coordinate, whereby one can determine certain molecular constants. Here we employ various potential functions such as Morse, Rydberg, Varshni(II), Varshni(III), Varshni(VI), Poschl-Teller, Hulburt-Hirschfelder, Lippincott, Frost-Musulin, Linnet, and Rosen-Morse, and the Numerov method to solve the nuclear Schrodinger equation for F2, as an example of a homonuclear diatomic molecule. Herewith, the vibrational and vibration-rotation energy levels are obtained and excellent accuracy is achieved. The potential of employing the Numerov method in engineering physics computations is emphasized.
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