Semiclassical calculation of chemical reaction dynamics via wavepacket correlation functions

Article Abstract:

A critical appraisal of the classical and semiclassical calculation methods employed in the analysis of chemical reaction dynamics is presented. Discussion on the semiclassical wavepacket correlation function formulation's ability to analyze both the reactants and products on similar grounds is elucidated.

Israel, Evaluation, Chemical reaction, Rate of, Chemical kinetics, Scattering (Physics), Wave packets, S-matrix theory

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Ultrafast spectroscopy of shock waves in molecular materials

Article Abstract:

This review analyzes the dynamical properties of molecular materials by employing ultrafast time-resolved molecular spectroscopy and shock wave spectroscopy. Studies of high explosives, condensed-matter systems, and shock compression of biological molecules are presented.

Research, Observations, Lasers, Explosives, Biomedical materials, Biomaterials, Shock (Mechanics)

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Semiclassical description of molecular dynamics based on initial-value representation methods

Article Abstract:

Semiclassical methods in developing quantum effects in molecular dynamics are reviewed. Selective applications illustrate the potential and efficiency of these methods.

Molecular dynamics

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