Semiclassical surface hopping H-K propagator: application to two-dimensional, two-surface problems

Article Abstract:

The application of a semiclassical surface hopping Herman-Kluk (HK) propagator for two-surface model problems is presented for two-dimensional collinear systems. According to the calculations from Monte Carlo method, the general multisurface semiclassical HK propagator method is efficient and accurate.

Usage, Surface chemistry, Monte Carlo method, Monte Carlo methods

---

Comparison of dynamical heterogeneity in hard-sphere and attractive glass formers

Article Abstract:

A molecular dynamics simulation is used to determine that the nature of dynamical heterogeneity in jammed liquids is very sensitive to short-ranged attraction. Particle motion is punctuated and tends to proceed in steps of roughly a single particle diameter.

Israel, STONE, CLAY, AND GLASS PRODUCTS, Glass Products, Glass and Glass Product Manufacturing, Analysis, Glass, Molecular dynamics, Gaussian processes

---

Similar abstracts:

• Abstracts: A short-time quantum mechanical expansion approach to vibrational relaxation

This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.