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Showing 1 to 2 of 2 for “"semiclassical dynamic"”.
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SEMICLASSICAL MOLECULAR DYNAMICS OF ADIABATIC AND NONADIABATIC PROCESSES
Molecular dynamics over the years has been established as a powerful yet sim- ple technique capable of offering new physical insights into molecular processes. Some of the most desirable features are that it retains favorable scalability with the increasing number of degrees of freedom and can also …
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SEMICLASSICAL VIBRATIONAL SPECTROSCOPY BEYOND POWER SPECTRA
… technique for probing molecular structure, dynamics, and intermolecular interactions. However, the increasing spectral complexity of medium- and large-sized systems makes theoretical support essential for reliable spectral assignment. Semiclassical (SC) molecular dynamics offers an effective …