On entropy/information continuity in molecular electronic states

Abstract

ABSTRACTIn the information-theoretic (IT) description of electronic states in molecules, the current and source concepts of the continuity relations for densities of quantum descriptors of the state resultant entropic content combining the probability and current/phase contributions are examined and interpreted. The resultant Shannon- and Fisher-type functionals, isomorphic in the position and momentum representations of quantum mechanics, are explored and the corresponding information sources are established. All these thermodynamic-like expressions in terms of the relevant IT intensities, affinities, fluxes and probability sources predict the vanishing entropy source for the zero intensities associated with the state modulus (probability) and phase (current) degrees of freedom.