Related papers: Classical-trajectory time-dependent mean-field the…
Recently a local mean field theory for both eqilibrium and transport properties of the Coulomb glass was proposed [A. Amir et al., Phys. Rev. B 77, 165207 (2008); 80, 245214 (2009)]. We compare the predictions of this theory to the results…
A method of solving Maxwell equations in a vicinity of a multipole particle (moving along an arbitrary trajectory) is proposed. The method is based on a geometric construction of a trajectory-adapted coordinate system, which simplifies…
By performing an ensemble of molecular dynamics simulations, the model-dependent ionisation state is computed for strongly interacting systems self-consistently. This is accomplished through a free energy minimisation framework based on the…
The discrete time path integral Monte Carlo (PIMC) with a one-particle density matrix approximation is applied to study the quantum phase transition in the coupled double-well chain. To improve the convergence properties, the exact action…
Simulations that couple different classical molecular models in an adaptive way by changing the number of degrees of freedom on the fly, are available within reasonably consistent theoretical frameworks. The same does not occur when it…
Algorithms to determine transition probabilities in Monte Carlo simulations are tested using a system of classical particles with effective interactions which reproduce Bose-Einstein statistics. The system is appropriate for testing…
Reaction paths and classical and quantum trajectories are studied within a generalized Hamilton-Jacobi framework, which allows to put on equal footing topology and dynamics in chemical reactivity problems. In doing so, we show how…
Canonical quantum correlation observables can be approximated by classical molecular dynamics. In the case of low temperature the ab initio molecular dynamics potential energy is based on the ground state electron eigenvalue problem and the…
The intention of this study is the search for signatures of the chiral phase transition in heavy-ion collisions. To investigate the impact of fluctuations, e.g., of the baryon number, at the transition or at a critical point, the linear…
Binary collisions of the gyrating charged particles in an external magnetic field are considered within a classical second-order perturbation theory, i.e., up to contributions which are quadratic in the binary interaction, starting from the…
In this paper, a quasistatic model is extended to describe the double ionization of Helium in intense linearly polarized field, yielding achieve an insight to the two-electron correlation effect in the ionization dynamics. Our numerical…
Quantum trajectory calculations for electrons are a useful tool in the field of molecular dynamics, e.g. to understand processes in ultrafast spectroscopy. They have, however, two limitation: On the one hand, such calculations are typically…
The transport of ultra-cold atoms in magneto-optical potentials provides a clean setting in which to investigate the distinct predictions of classical versus quantum dynamics for a system with coupled degrees of freedom. In this system,…
We demonstrate that a recently published quasiclassical M\oller type approach [Geyer and Rost 2002, J. Phys. B 35 1479] can be used to overcome the problem of autoionization, which arises in classical trajectory calculations for many…
We develop a numerical model that reproduces the thermal equilibrium and the spin transfer mechanisms in magnetic nanomaterials. We analyze the coherent two-particle spin exchange interaction and the electron-electron collisions. Our study…
A sixth order quadrupole boson Hamiltonian is treated through a time dependent variational principle approach choosing as trial function a coherent state with respect to zeroth $b^{\dagger}_0$ and second $b^{\dagger}_2+b^{\dagger}_{-2}$…
The shell-model Monte Carlo (SMMC) technique transforms the traditional nuclear shell-model problem into a path-integral over auxiliary fields. We describe below the method and its applications to four physics issues: calculations of sdpf-…
We solve numerically exactly a simple toy model to quantum general relativity or more properly to path integral on a curved space. We consider the thermal equilibrium of a quantum many body problem on the sphere, the surface of constant…
A model for ionic and electronic grain boundary transport through thin films, scales or membranes with columnar grain structure is introduced. The grain structure is idealized as a lattice of identical hexagonal cells - a honeycomb pattern.…
Theoretical models for the liquid-vapor and metal-nonmetal transitions of alkali fluids are investigated. Mean-field models are considered first but shown to be inadequate. An alternate approach is then studied in which each statistical…