Related papers: Energy Current with Multi--body Interaction using …
Motivated by the considerable importance of material properties in modern condensed matter physics research, and using techniques of the $N_{e}$ -electron systems in terms of the electron density $n_{\sigma e}\left( r\right) $ needed to…
We present a new method for realizing the adiabatic connection approach in density functional theory, which is based on combining accurate variational quantum Monte Carlo calculations with a constrained optimization of the ground state…
We show how the measurement of appropriately constructed particle-energy/momentum correlations allows access to the bulk viscosity of strongly interacting hadron matter in heavy ion collisions. This measurement can be performed by the LHC…
Dissipative particle dynamics (DPD) does not conserve energy and this precludes its use in the study of thermal processes in complex fluids. We present here a generalization of DPD that incorporates an internal energy and a temperature…
Electron-positron interactions have been utilized in various fields of science. Here we develop time-dependent multi-component density functional theory to study the coupled electron-positron dynamics from first principles. We prove that…
We present a new time-dependent Density Functional approach to study the relaxational dynamics of an assembly of interacting particles subject to thermal noise. Starting from the Langevin stochastic equations of motion for the velocities of…
A new energy-consistent discretization of the viscous dissipation function in incompressible flows is proposed. It is implied by choosing a discretization of the diffusive terms and a discretization of the local kinetic energy equation and…
We use continuum mechanics [Tao \emph{et al}, PRL{\bf 103},086401] to approximate the dynamic density response of interacting many-electron systems. Thence we develop a numerically efficient exchange-correlation energy functional based on…
A general approach to calculate the diabatic surfaces for electron-transfer reactions is presented, based on first-principles molecular dynamics of the active centers and their surrounding medium. The excitation energy corresponding to the…
The dynamics of colloidal particles in potential energy landscapes have mainly been investigated theoretically. In contrast, here we discuss the experimental realization of potential energy landscapes with the help of light fields and the…
We analytically study the role of nonconservative forces, namely viscous couplings, on the statistical properties of the energy flux between two Brownian particles kept at different temperatures. From the dynamical model describing the…
The clearing up of a wave nature of the energy and mass transfer phenomena in classical expressions of the molecular-kinetic theory has allowed to find a quantitative measure of intensity of processes of a thermal conductivity, viscosity…
In this paper we solve analytically Dirac equation for Eckart plus Hulthen potentials with Coulomb-like and Yukawa-like tensor interaction in the presence of Spin and Pseudo-spin Symmetry for any k number. The Parametric Nikiforov-Uvarov…
The classical version of the three wave interaction models the creation and destruction of waves; the quantized version models the creation and destruction of particles. The quantum three wave interaction is described and the Bethe Ansatz…
We investigate a system of co-oriented active particles interacting only via hydrodynamic and steric interactions. We offer a new method of calculating the flow created by any active particle in a 2D fluid, focusing on the dynamics of flow…
The interaction energy and minimum energy structure for different geometries of the benzene dimer has been calculated using the recently developed nonlocal correlation energy functional for calculating dispersion interactions. The…
The Dirac delta function potential is considered within the real Hilbert space approach for complex wave functions, as well as quaternionic wave functions. As has been previously determined, the real Hilbert space approach enables the…
We study the atomistic-to-continuum limit of a class of energy functionals for crystalline materials via Gamma-convergence. We consider energy densities that may depend on interactions between all points of the lattice and we give…
We present numerically exact energy estimates for two-dimensional electrons in a parabolic confinement. By application of an extension of the recently introduced many-body diffusion algorithm, the ground-state energies are simulated very…
A new variational method for studying the equilibrium states of an interacting particles system has been proposed. The statistical description of the system is realized by means of a density matrix. This method is used for description of…