R. S. Berry | Searcharxiv

arXiv2001

Relaxation dynamics in the presence of unequally spaced attractors along the reaction coordinate

We show how reaction coordinate path lengths affect the relaxation efficiency of a complex system. To this purpose, we consider the metric contributions to the transition rates. These metric contributions preserve informations about the geometry change of the system at the barrier crossing and, therefore, are directly related to the path lengths. The output of the present work can lead to identify a way to enrich our knowledge about the ability of the complex systems to relax only to preferential structures.

physics.chem-ph↗

arXiv2001

Visualization of Coulomb Correlations in Finite Metallic Systems

We present an analytic ansatz to find the effective electrostatic potential and Coulomb correlations in multicenter problems, specifically homogeneous and doped clusters of metal atoms. The approach is based on a quasi-classical density-functional treatment. We focus on the interpretive aspect of our findings, particularly on extracting insight regarding the geometric effects of Coulomb correlations for any given spatial disposition of ionic cores. For singly-doped metallic clusters we obtain a direct visualization of the variations of both screening and Coulomb correlations with changes of location of the dopant atom. This analysis provides a way to interpret recent observations of the variability of physical properties of metal clusters with changes of composition and geometry.

physics.chem-ph↗