On entropy-continuity descriptors of molecular equilibrium states

Resultant information concepts combining descriptors of both the probability and phase/current distributions in molecular electronic states are summarized. Continuity equations for these fundamental densities are explored and the equilibrium states of molecular systems are determined from the relevant information principles. The extremum of the nonclassical entropy/information terms alone determines the system vertical-equilibrium state of the vanishing current. The maximum of the resultant entropy, which defines the system horizontal-equilibrium, corresponds to the optimum "thermodynamic" phase determined by the system particle distribution and predicts its finite current related to the gradient of electron density. This equilibrium phase-transformation conserves the probability density while modifying the current of the original state. Generalized measures of the entropy/information content give rise to a thermodynamic description of molecular equilibrium states, which establishes the entropy source and flux concepts in the underlying information continuity equation. The influence of the equilibrium-phase transformation on the continuity relations for the state probability distribution, phase density, and local entropy production is examined.