Elements of the Information Distance Thermodynamics Pages 327 358英文电子书.pdf

10. E L E M E N T S OF THE I N F O R M A T I O N - DISTANCE T H E R M O D Y N A M I C S Thermodynamic analogies in the IT-description of the stationary (equilibrium) and instantaneous (non-equilibrium) electron distributions in molecules and their constituent fragments are explored. The horizontal displacements in the molecular electronic-structure, from one ground-state density to another, and vertical flows between subsystems, which preserve the molecular electron density, are examined. The coupling between the energy and entropy-deficiency descriptors of the electron densities in moleculess is examined for both the equilibrium (ground-state) and non- equilibrium (variational) distributions. The Lagrange multipliers of the constrained variational principles in both the energy and missing-information representations are identified. They are related to the information temperature parameters of the thermodynamic-like interpretation. It is demonstrated that the global information temperature, which characterizes the equilibrium electron distribution, is represented by the system chemical potential. The non-equilibrium electron densities are shown to require the local (non-equalized) information temperature, measured by the local chemical potential of such trial electron distributions. The illustrative case of the hydrogen-like atom is examined in a more detail. The a