Unfortunately, this approach is deficient for certain molecular systems but, through modifications introduced by our group, the constant temperature dynamics of these systems is being successfully investigated. Molecules can interact with their surroundings in extremely diverse ways that are best explored by examining the dynamics of model systems. Typically, the dynamics is regular for some sets of initial conditions and chaotic for others. In some unusual cases, the dynamics may switch between regular and chaotic for a single set of initial conditions. We are currently examining this behaviour and exploring applications to molecular and more general systems.
Wavelets also have important applications in information transfer data processing.
Related Literature Publications 1. Valence shell structures in the distributions of the Laplacian of the electron density and the one-electron potential for diatomic molecules. Smoothing, denoising, and dataset compression.