Calculation of Autocorrelation Functions Using the Wigner Representation of Quantum Mechanics

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A procedure is described for calculating both the magnitude and phase of an autocorrelation function from the Wigner distribution. The method is fully compatible with both quantum and classical-based procedures for propagating the Wigner distribution. Numerical results are presented for an initial Gaussian in a considerably anharmonic Morse potential, showing that the method is accurate for several vibrational periods.


NOTICE: this is the author’s version of a work that was accepted for publication in . Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in CHEMICAL PHYSICS LETTERS, [VOL#263, ISSUE#1-2, (DECEMBER 6 1996)] DOI#10.1016/S0009-2614(96)01183-9.

Garashchuk,S.&Tannor,D.J.(1996). Calculation of autocorrelation functions using the Wigner representation of quantum mechanics. Chemical Physics Letters, 263(1-2), 324-330.