Advantages of a nonharmonic-oscillator analysis of molecular vibrations
Simons, Gary Finlan, Michael J.
Simons, Gary
Finlan, Michael J.
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1974-07-15
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Simons, G., & Finlan, J. (1974). Advantages of a Nonharmonic-Oscillator Analysis of Molecular Vibrations. Phys. Rev. Lett., 33, 131–133.
Abstract
It is suggested that the theory of molecular vibrations, currently based on the harmonic oscillator potential, should be reformulated in terms of the potential V=K[(x-xe)x]2. The proposed potential is shown to possess numerous advantages, including an improved physical form, superior eigenfunctions and eigenvalues, the ability to include rotation analytically, and a set of continuum wave functions. The standard classical vibrational analyses are retained. © 1974 The American Physical Society.
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American Physical Society
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Physical Review Letters
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00319007