4.5 Article

INFRARED SPECTROSCOPY OF DIATOMIC MOLECULES - A FRACTIONAL CALCULUS APPROACH

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Publisher

WORLD SCIENTIFIC PUBL CO PTE LTD
DOI: 10.1142/S0217979213500197

Keywords

Fractals and nonlinear dynamics; rotation, vibration and vibration-rotation constants; infrared spectra; alternative approaches; Lie groups; harmonic oscillators; quantum systems with finite Hilbert space

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The eigenvalue spectrum of the fractional quantum harmonic oscillator is calculated numerically, solving the fractional Schrodinger equation based on the Riemann and Caputo definition of a fractional derivative. The fractional approach allows a smooth transition between vibrational and rotational type spectra, which is shown to be an appropriate tool to analyze IR spectra of diatomic molecules.

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