The energy of a physical domain within a molecular system considered as a quantum open system is analyzed as a functional of the electron distribution dependence with the number of particles. Our attention is focused upon ...

The hardness and softness quantities defined in density functional theory are discussed. A new scheme to calculate the hardness and softness hierarchies without resorting to the finite difference approximation is outlined. ...

Wood basic density (BD) is related to other wood characteristics and its determination is important in forest inventory, though BD must be differentiated from the apparent density (AD), which relates to the moisture content ...

The determination of the two-body density functional from its one-body density is achieved for Moshinsky's harmonium model, using a phase-space formulation, thereby resolving its phase dilemma. The corresponding sign rules ...

We herein demonstrate that capacitance spectroscopy (CS) experimentally allows access to the energy associated with the quantum mechanical ground state of many-electron systems. Priorly, electrochemical capacitance, C[ρ], ...

We use the natural invariant density of the map and the Perron–Frobenius operator to analytically evaluate the statistical properties for chaotic intermittency. This study can be understood as an improvement of the previous ...

The bonding and antibonding character of individual molecular orbitals has been previously shown to be related to their orbital energy derivatives with respect to nuclear coordinates, known as dynamical orbital forces. ...

© 2015 Elsevier Inc.We study differentiability properties in a particular case of the Palmer's linearization theorem, which states the existence of a homeomorphism H between the solutions of a linear ODE system having ...

We study differentiability properties in a particular case of the Palmer's linearization theorem, which states the existence of a homeomorpbism H between the solutions of a linear ODE system having exponential dichotomy ...