Contents 1. Introduction 2. Static models: empirical-statistical approach 3. Dynamical models: An approach oriented to process account 4. Deterministic models of energy and mass exchange for plant environment 4.1. A set of equations for air 4.2. A set of equations for soil 4.3. Boundary and initial conditions 4.4. Ways to simplify the general problem of energy and mass exchange in the soil-plan...

We observe that the direct Coulomb (Hartree) term appearing in the ensemble-density-functional theory for excited states contains an unphysical ("ghost") interaction which has to be corrected by the ensemble exchange and correlation functional. We propose a simple additive correction to the conventional ensemble exchange energy in the form of an orbital functional. By treating this corrected ex...

This paper describes a model for magnetization reversal in polycrystalline Ferromagnetic/Antiferromagnetic exchange biased bilayers. We assume that the exchange energy can be expanded into cosine power series. We show that it is possible to fit experimental asymmetric shape of hysteresis loops in exchange biased bilayer for any direction of the applied field. The hysteresis asymmetry is discuss...

In this study, the substituent effect on the electronic, spectroscopic properties and thermodynamic parameters of neutral and oxidized states of ferrocylidene acetophenone complexes was investigated by adopting the hybrid meta exchange-correlation functional of M06-2X. The frontier orbitals and the highest occupied molecular orbitals–lowest unoccupied molecular orbitals gaps of the substituted ...

Consider a classical system in contact with a constant temperature heat bath where some degree of freedom of the system can be controlled. Manipulation of this degree of freedom results in an expenditure of some amount of work, a change in the energy and free energy of the system, and an exchange of heat with the bath. Let 1 be a parameter specifying the current value of the controllable degree...