相关论文: Local Molecular Dynamics with Coulombic Interactio…
The mechanisms of physical and chemical interactions of low temperature plasmas with surfaces can be fruitfully explored using molecular dynamics (MD) simulations. MD simulations follow the detailed motion of sets of interacting atoms…
The method of molecular dynamics is used to study behavior of a ultracold non-ideal ion-electron Be plasma in a uniform magnetic field. Our simulations yield an estimate for the rate of electron-ion collisions which is…
An orbit following code is developed to calculate ion beam trajectories in magnetized plasmas. The equation of motion (the Newton's equation) is solved including the Lorentz force term and Coulomb collisional relaxation term. Furthermore, a…
The quantum mechanical many-body problem is rarely analytically solvable. One notable exception is the case of two electrons interacting via a Coulomb potential in a uniform magnetic field. The motion is confined to a two-dimensional plane,…
We address the steady-state behavior of a system consisting of several correlated monoatomic layers sandwiched between two metallic leads under the influence of a bias voltage. In particular, we investigate the effect of the local Hubbard…
We develop the recently proposed analytical R-matrix (ARM) method to encompass strong field ionisation by circularly polarised fields, for atoms with arbitrary binding potentials. Through ARM, the effect of the potential can now be included…
We study numerically the dynamical system of a two-electron atom with the Darwin interaction as a model to investigate scale-dependent effects of the relativistic action-at-a-distance electrodynamics. This dynamical system consists of a…
The review of the modern results in the theoretical and experimental study of the localized interacting electrons is given. After theoretical prediction of the Coulomb gap and the new temperature law in the variable range hopping conduction…
Near-field, radially symmetric optical potentials centred around a levitated nanosphere can be used for sympathetic cooling and for creating a bound nanosphere-atom system analogous to a large molecule. We demonstrate that the long range,…
We study the relationship between universal effects and the Coulomb interaction. Here, we present our approach and a first illustrative example. Understanding the relationship of universality and the Coulomb interaction is important for…
We develop a quantum algorithm for estimating the free energy as well as the total Gibbs state of interacting quantum Coulomb gases and molecular systems in dimensions $d \in \{2,3\}$ at finite temperature. These systems lie beyond the…
We present an alternative, univocal characterization of the continuous transition from atomic to molecular shape in the Coulomb system constituted by two identical particles and a third particle with the opposite charge, as the mass ratio…
A field theoretic representation of the classical partition function is derived for a system composed of a mixture of anisotropic and isotropic mobile charges that interact {\sl via} long range Coulomb and short range nematic interactions.…
Inspired by one--dimensional light--particle systems, the dynamics of a non-Hamiltonian system with long--range forces is investigated. While the molecular dynamics does not reach an equilibrium state, it may be approximated in the…
For the $S$ states of two-electron atoms, we introduce an exact and unique factorization of the internal eigenfunction in terms of a marginal amplitude, which depends functionally on the electron-nucleus distances $r_1$ and $r_2$, and a…
Inelastic tunneling of electrons can generate the emission of photons with energies intuitively limited by the applied bias voltage. However, experiments indicate that more complex processes involving the interaction of electrons with…
Extended Lagrangian molecular dynamics (XLMD) is a general method for performing molecular dynamics simulations using quantum and classical many-body potentials. Recently several new XLMD schemes have been proposed and tested on several…
First steps towards developing a new perturbation theory for molecular liquids are taken. By choosing a new form of splitting the site-site potential functions between molecules, we will get a set of atomic fluids as the reference system…
Most computer simulations of molecular dynamics take place under equilibrium conditions--in a closed, isolated system, or perhaps one held at constant temperature or pressure. Sometimes, extra tensions, shears, or temperature gradients are…
Molecular dynamics simulations use statistical mechanics at the atomistic scale to enable both the elucidation of fundamental mechanisms and the engineering of matter for desired tasks. The behavior of molecular systems at the microscale is…