▪ Abstract This review focuses on time-dependent methods suitable for simulating the
quantum dynamics of processes in large clusters and condensed-phase environments. A …

▪ Abstract This review describes some developments in the theory and application of the
semiclassical initial representation for the treatment of the dynamical and static properties of …

The Equilibrium Theory of Inhomogeneous Polymers provides an introduction to the field-
theoretic methods and computer simulation techniques that are used in the design of …

The semiclassical (SC) initial value representation (IVR) provides a potentially practical way
for adding quantum mechanical effects to classical molecular dynamics (MD) simulations of …

Recent progress in numerical methods for evaluating the real-time path integral in
dissipative harmonic environments is reviewed. Quasi-adiabatic propagators constructed …

We present a molecular model for studying the prototypical ferric–ferrous electron transfer
process in liquid water, and we discuss its structural implications. Treatment of the …

We present accurate fully quantum calculations of thermal rate constants for a symmetric
double well system coupled to a dissipative bath. The calculations are performed using the …

The first unified treatment of experimental and theoreticaladvances in low-temperature
chemistry Chemical Dynamics at LowTemperatures is a landmark publication. For the first …

We have shown that the fluorescence lifetime of the polysilane, poly (di-n-hexylsilane), is
significantly increased in crystalline forms. This is attributed to a decrease in the rate of …

The semiclassical initial value representation (SC-IVR), which has recently seen a great
deal of interest for treating nuclear dynamics on a single potential energy surface, is …