期刊
CHEMICAL PHYSICS LETTERS
卷 501, 期 4-6, 页码 603-607出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2010.11.065
关键词
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资金
- Chemistry Division of the National Science Foundation Division
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [0848242] Funding Source: National Science Foundation
Analytical solutions for the Morse oscillator are used to evaluate < V >(n) and < T >(n). For all bound states < V >(n) = h omega e/2 (n + 1/2). This result is identical to the result that is obtained for the harmonic oscillator with the same quadratic force constant. Consequently, all of the anharmonicity in the energy of the quantum states of a Morse oscillator is incorporated in < T >(n). This finding is tested for realistic diatomic potential functions for Ar-Xe, Be(2) and the E- state of Li(2). Analysis of < V >(n)/(n + 1/2) for these systems shows that this quantity is well approximated by omega(e)/2 over large ranges of n. Implications of this result to polyatomic systems and for vibration to translation collisional energy transfer are discussed. (C) 2010 Elsevier B.V. All rights reserved.
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