Related papers: Quantum simulation of 3He impurities and of 4He in…
In recent years, experimental data were published which point to the possibility of the existence of superfluidity in solid helium. To investigate this phenomenon theoretically we employ a hierarchy of equations for reduced density matrices…
Quantum magnetism describes the properties of many materials such as transition metal oxides and cuprate superconductors. One of its elementary processes is the propagation of spin excitations. Here we study the quantum dynamics of a…
The low-lying eigenstates of a one-dimensional (1D) system of many impenetrable point bosons and one moving impurity particle with repulsive zero-range impurity-boson interaction are found for all values of the impurity-boson mass ratio and…
Ion-implantation is a useful technique to study irradiation damage in nuclear materials. To study He effects in nuclear fusion conditions, He is co-implanted with damage ions to reproduce the correct He/dpa ratios in the desired or…
Embedding calculations that find approximate solutions to the Schr\"{o}dinger equation for large molecules and realistic solids are performed commonly in a three step procedure involving (i) construction of a model system with effective…
We show that, at high densities, fully variational solutions of solid-like type can be obtained from a density functional formalism originally designed for liquid 4He. Motivated by this finding, we propose an extension of the method that…
For solid 4He and solid p-H2, using the flow-energy-minimizing one-body phase function and exact T=0 K Monte Carlo calculations of the local density, we have calculated the phase function, the velocity profile and upper bounds for the…
We study the hydrodynamics of quantum 4He crystal oscillations in a superfluid liquid with involving the dynamics of atomically rough surfaces. It is shown that, due to enhancement of the kinetic growth coefficient as the temperature…
Solid helium (3He and 4He) in the hcp and fcc phases has been studied by path-integral Monte Carlo. Simulations were carried out in the isothermal-isobaric (NPT) ensemble at pressures up to 52 GPa. This allows one to study the temperature…
Both mixtures of atomic Bose-Einstein condensates and systems with atoms trapped in optical lattices have been intensely explored theoretically, mainly due to the exceptional developments on the experimental side. We investigate the…
We integrate the all-electron electronic structure code FHI-aims into the general ChemShell package for solid-state embedding (QM/MM) calculations. A major undertaking in this integration is the implementation of pseudopotential…
The transport of heavy, neutral or charged, point-like particles by incompressible, resistive magnetohydrodynamic (MHD) turbulence is investigated by means of high-resolution numerical simulations. The spatial distribution of such…
The observation of a non-classical rotation inertia (NCRI) fraction in bulk solid 4He by M. Chan and E. Kim attracted significant interest as a possible manifestation of supersolid state of matter. Despite numerous experimental and…
Below $\sim 630$~mK, the \4he atom mass flux, $F$, that passes through a cell filled with solid hcp \4he in the pressure range 25.6 - 26.4~bar, rises with falling temperature and at a temperature $T_d$ the flux drops sharply. The flux above…
Non-ideal MHD effects are thought to be a crucial component of the star-formation process. Numerically, several complications render the study of non-ideal MHD effects in 3D simulations extremely challenging and hinder our efforts of…
We study (by an exact numerical scheme) the single-particle density matrix of $\sim 10^3$ ultracold atoms in an optical lattice with a parabolic confining potential. Our simulation is directly relevant to the interpretation and further…
The problem of an impurity particle moving through a bosonic medium plays a fundamental role in physics. However, the canonical scenario of a mobile impurity immersed in a Bose-Einstein condensate (BEC) has not yet been realized. Here, we…
We investigate a temporal evolution of an impurity atom in a one-dimensional trapped Bose gas following a sudden change of the boson-impurity interaction strength. Our focus is on the effects of inhomogeneity due to the harmonic…
The Debye-Waller factor and the mean-squared displacement from lattice sites for solid 3He and 4He were calculated with Path Integral Monte Carlo at temperatures between 5 K and 35 K, and densities between 38 nm^(-3) and 67 nm^(-3). It was…
Thermalizing and localized many-body quantum systems present two distinct dynamical phases of matter. Recently, the fate of a localized system coupled to a thermalizing system viewed as a quantum bath received significant theoretical and…