Interacting electrons in a one-dimensional random array of scatterers - A Quantum Dynamics and Monte-Carlo study

The quantum dynamics of an ensemble of interacting electrons in an array of random scatterers is treated using a new numerical approach for the calculation of average values of quantum operators and time correlation functions in the Wigner representation. The Fourier transform of the product of matrix elements of the dynamic propagators obeys an integral Wigner-Liouville-type equation. Initial conditions for this equation are given by the Fourier transform of the Wiener path integral representation of the matrix elements of the propagators at the chosen initial times. This approach combines both molecular dynamics and Monte Carlo methods and computes numerical traces and spectra of the relevant dynamical quantities such as momentum-momentum correlation functions and spatial dispersions. Considering as an application a system with fixed scatterers, the results clearly demonstrate that the many-particle interaction between the electrons leads to an enhancement of the conductivity and spatial dispersion compared to the noninteracting case.Comment: 10 pages and 8 figures, to appear in PRB April 1

Quantum simulations of strongly coupled quark-gluon plasma

A strongly coupled quark-gluon plasma (QGP) of heavy constituent quasiparticles is studied by a path-integral Monte-Carlo method, which improves the corresponding classical simulations by extending them to the quantum regime. It is shown that this method is able to reproduce the lattice equation of state and also yields valuable insight into the internal structure of the QGP. The results indicate that the QGP reveals liquid-like rather than gas-like properties. At temperatures just above the critical one it was found that bound quark-antiquark states still survive. These states are bound by effective string-like forces. Quantum effects turned out to be of prime importance in these simulations.Comment: 8 pages, 10 figures, revised version of the contribution to proceedings of "Int. Workshop on High Density Nuclear Matter", Cape Town, 5-10 Apr., 201

Quantum dynamics in canonical and micro-canonical ensembles. Part I. Anderson localization of electrons

The new numerical approach for consideration of quantum dynamics and calculations of the average values of quantum operators and time correlation functions in the Wigner representation of quantum statistical mechanics has been developed. The time correlation functions have been presented in the form of the integral of the Weyl's symbol of considered operators and the Fourier transform of the product of matrix elements of the dynamic propagators. For the last function the integral Wigner- Liouville's type equation has been derived. The numerical procedure for solving this equation combining both molecular dynamics and Monte Carlo methods has been developed. For electrons in disordered systems of scatterers the numerical results have been obtained for series of the average values of the quantum operators including position and momentum dispersions, average energy, energy distribution function as well as for the frequency dependencies of tensor of electron conductivity and permittivity according to quantum Kubo formula. Zero or very small value of static conductivity have been considered as the manifestation of Anderson localization of electrons in 1D case. Independent evidence of Anderson localization comes from the behaviour of the calculated time dependence of position dispersion.Comment: 8 pages, 10 figure

Dynamic properties and the roton mode attenuation in the liquid 3He: an ab initio study within the self-consistent method of moments

The dynamic structure factor and the eigenmodes of density fluctuations in the uniform liquid $^3$He are studied using a novel non-perturbative approach. This new version of the self-consistent method of moments invokes up to nine sum rules and other exact relations involving the spectral density, the two-parameter Shannon information entropy maximization procedure, and the ab initio path integral Monte Carlo (PIMC) simulations which provide crucial reliable input information on the system static properties. Detailed analysis of the dispersion relations of collective excitations, the modes decrements and the static structure factor (SSF) of $^3$He at the saturated vapor pressure is performed. The results are compared to available experimental data~[1,2]. The theory reveals a clear signature of the roton-like feature in the particle-hole segment of the excitation spectrum with a significant reduction of the roton decrement in the wavenumber range $1.3 A^{-1} \leq q\leq 2.2 A^{-1}$. The observed roton mode remains a well defined collective excitation even in the particle-hole band, where, however, it is strongly damped. Hence, the existence of the roton-like mode in the bulk liquid $^3$He is confirmed like in other strongly interacting quantum fluids~[3]. The phonon branch of the spectrum is also studied with a reasonable agreement with the same experimental data being achieved. The presented combined approach permits to produce ab initio data on the system dynamic characteristics in a wide range of physical parameters and for other physical systems.Comment: 20 pages, 18 figure

Thermodynamic properties and electrical conductivity of strongly correlated plasma media

We study thermodynamic properties and the electrical conductivity of dense hydrogen and deuterium using three methods: classical reactive Monte Carlo (REMC), direct path integral Monte Carlo (PIMC) and a quantum dynamics method in the Wigner representation of quantum mechanics. We report the calculation of the deuterium compression quasi-isentrope in good agreement with experiments. We also solve the Wigner-Liouville equation of dense degenerate hydrogen calculating the initial equilibrium state by the PIMC method. The obtained particle trajectories determine the momentum-momentum correlation functions and the electrical conductivity and are compared with available theories and simulations

Monte Carlo results for the hydrogen Hugoniot

We propose a theoretical Hugoniot obtained by combining results for the equation of state (EOS) from the Direct Path Integral Monte Carlo technique (DPIMC) and those from Reaction Ensemble Monte Carlo (REMC) simulations. The main idea of such proposal is based on the fact that DPMIC provides first-principle results for a wide range of densities and temperatures including the region of partially ionized plasmas. On the other hand, for lower temperatures where the formation of molecules becomes dominant, DPIMC simulations become cumbersome and inefficient. For this region it is possible to use accurate REMC simulations where bound states (molecules) are treated on the Born-Oppenheimer level using a binding potential calculated by Kolos and Wolniewicz. The remaining interaction is then reduced to the scattering between neutral particles which is reliably treated classically applying effective potentials. The resulting Hugoniot is located between the experimental values of Knudson {\textit{et al.}} \cite{1} and Collins {\textit{et al.}} \cite{2}.Comment: 10 pges, 2 figures, 2 table

Path integral Monte Carlo calculations of helium and hydrogen-helium plasma thermodynamics and of the deuterium shock Hugoniot

In this work we calculate the thermodynamic properties of hydrogen-helium plasmas with different mass fractions of helium by the direct path integral Monte Carlo method. To avoid unphysical approximations we use the path integral representation of the density matrix. We pay special attention to the region of weak coupling and degeneracy and compare the results of simulation with a model based on the chemical picture. Further with the help of calculated deuterium isochors we compute the shock Hugoniot of deuterium. We analyze our results in comparison with recent experimental and calculated data on the deuterium Hugoniot.Comment: 7 pages, 5 Postscript figures, accepted for publication in J. Phys. A: Math. Ge

Correlational Origin of the Roton Minimum

We present compelling evidence supporting the conjecture that the origin of the roton in Bose-condensed systems arises from strong correlations between the constituent particles. By studying the two dimensional bosonic dipole systems a paradigm, we find that classical molecular dynamics (MD) simulations provide a faithful representation of the dispersion relation for a low- temperature quantum system. The MD simulations allow one to examine the effect of coupling strength on the formation of the roton minimum and to demonstrate that it is always generated at a sufficiently high enough coupling. Moreover, the classical images of the roton-roton, roton-maxon, etc. states also appear in the MD simulation spectra as a consequence of the strong coupling.Comment: 7 pages, 4 figure

Transmission time of wave packets through tunneling barriers

The transmission of wave packets through tunneling barriers is studied in detail by the method of quantum molecular dynamics. The distribution function of the times describing the arrival of a tunneling packet in front of and behind a barrier and the momentum distribution function of the packet are calculated. The behavior of the average coordinate of a packet, the average momentum, and their variances is investigated. It is found that under the barrier a part of the packet is reflected and a Gaussian barrier increases the average momentum of the transmitted packet and its variance in momentum space.Comment: 23 pages, 5 figure

Collective excitations in electron-hole bilayers

We report a combined analytic and Molecular Dynamics analysis of the collective mode spectrum of an electron-hole (bipolar) bilayer in the strong coupling quasi-classical limit. A robust, isotropic energy gap is identified in the out-of-phase spectra, generated by the combined effect of correlations and of the excitation of the bound dipoles; the in-phase spectra exhibit a correlation governed acoustic dispersion for the longitudinal and transverse modes. Strong nonlinear generation of higher harmonics of the fundamental dipole oscillation frequency and the transfer of harmonics between different modes is observed. The mode dispersions in the liquid state are compared with the phonon spectrum in the crystalline solid phase, reinforcing a coherent physical picture.Comment: 4 pages, 5 figure