Browsing by Subject "Gaussian wave packets"

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Exploring time-dependent approaches towards the calculation of dynamics and spectroscopic signals: A mixed quantum/semiclassical wave packet method and the theory of transient absorption and femtosecond stimulated Raman scattering

Kovac, Philip (University of Oregon, 2018-04-10)

We present a time-dependent mixed quantum/semiclassical approach to calculating linear absorption spectra. Applying Variational Fixed Vibrational Basis/Gaussian Bath theory (FVB/GB) to the treatment of small molecules ...
Mixed Quantum/Semiclassical Theory for Small-Molecule Dynamics and Spectroscopy in Low-Temperature Solids

Cheng, Xiaolu (University of Oregon, 2013-07-11)

A quantum/semiclassical theory for the internal nuclear dynamics of a small molecule and the induced small-amplitude coherent motion of a low-temperature host medium is developed, tested and applied to simulate and interpret ...