Related papers: A parameter-free statistical model for two-dimensi…
For the numerical simulations of physical and mechanical behaviors of materials at the micro-nano scale, a coupled model with the effect of local quantum is presented in this paper. Unlike traditional methods, the transition region is not…
The Brownian dynamics of the density operator for a quantum system interacting with a classical heat bath is described using a stochastic, non-linear Liouville equation obtained from a variational principle. The environment's degrees of…
Carbon nanomembranes (CNMs) are nanometer-thin disordered carbon materials that are suitable for a range of applications, from energy generation and storage, through to water filtration. The structure-property relationships of these…
We propose a method to incorporate the coupling between shape and pairing collective degrees of freedom in the framework of the interacting boson model (IBM), based on the nuclear density functional theory. To account for pairing…
In this work, I propose a statistical mechanical framework, for the evaluation of the free energy in molecular systems, by "deleting" all the molecules in a "single" step. The approach can be considered as the statistical mechanics…
A continuum plasticity model for metals is presented from considerations of non-equilibrium thermodynamics. Of specific interest is the application of a fluctuation relation that subsumes the second law of thermodynamics en route to…
The standard solution of the Schroedinger equation for the hydrogen atom is analyzed. Comparing with the recently established internal properties of electrons it is found, that these solutions cannot be seen as physically valid states of…
Electronic structure calculation of atoms and molecules, in the past few decades has largely been dominated by density functional methods. This is primarily due to the fact that this can account for electron correlation effects in a…
The spectrum of eigenenergies of a quantum integrable system whose hamiltonian depends on a single parameter shows degeneracies (crossings) when the parameter varies. We derive a semiclassical expression for the density of crossings in the…
Various properties of the energy band structures (electronic, phonon, etc.), including systematic band degeneracy, sticking and extremes, following from the full line group symmetry of the single-wall carbon nanotubes are established. The…
We suggest to include the density of electron charge explicitly in the electron potential of density functional theory, rather than implicitly via exchange-correlation functionals. The advantages of the approach are conceptual and…
This work investigates a quantum system described by a Hamiltonian operator in a two dimensional noncommutative space. The system consists of an electron subjected to a perpendicular magnetic field $\mathbf{B}$, coupled to a harmonic…
Measuring the power spectral density of a stochastic process, such as a stochastic force or magnetic field, is a fundamental task in many sensing applications. Quantum noise is becoming a major limiting factor to such a task in future…
We use the phase space position-velocity ($x,v$) to deal with the statistical properties of velocity dependent dynamical systems, like dissipative ones. Within this approach, we study the statistical properties of an ensemble of harmonic…
We prove a quantum version of the second law of thermodynamics: the (quantum) Boltzmann entropy increases if the initial (zero time) density matrix decoheres, a condition generally satisfied in Nature. It is illustrated by a model of…
In the present paper, a temperature-dependent meshless numerical framework based on the thermo-related quasi-continuum constitutive model is developed for predicting the thermal mechanical properties of single-walled carbon nanotubes…
We present a microscopic theory of nonlinear damping and dephasing of low-frequency eigenmodes in nano- and micro-mechanical systems. The mechanism of the both effects is scattering of thermally excited vibrational modes off the considered…
In this article we investigate no-resonance conditions for quantum many body chaotic systems and random matrix models. No-resonance conditions are properties of the spectrum of a model, usually employed as a theoretical tool in the analysis…
A new statistical model for the combined effects of decoherence, energy redistribution and dissipation on electron transport in large quantum systems is introduced. The essential idea is to consider the electron phase information to be lost…
We apply a number of atomic decomposition schemes across the standard QM7 dataset -- a small model set of organic molecules at equilibrium geometry -- to inspect the possible emergence of trends among contributions to atomization energies…