Phase-space path-integral representation of the quantum density of states: Monte Carlo simulation of strongly correlated soft-sphere fermions.

The Wigner formulation of quantum mechanics is used to derive a path-integral representation of the quantum density of states (DOS) of strongly correlated fermions in the canonical ensemble. A path-integral Monte Carlo approach for the simulation of DOS and other thermodynamic functions is suggested. The derived Wigner function in the phase space resembles the Maxwell-Boltzmann distribution but allows for quantum effects.

How to read optical properties of matter via the Kubo-Greenwood approach.

Substances with a complex electronic structure exhibit non-Drude optical properties that are challenging to interpret experimentally and theoretically. In our recent paper [Phys. Rev.

Exchange-correlation bound states of the triplet soft-sphere fermions by path-integral Monte Carlo simulations.

Path-integral Monte Carlo simulations in the Wigner approach to quantum mechanics has been applied to calculate momentum and spin-resolved radial distribution functions of the strongly correlated soft-sphere quantum fermions. The obtained spin-resolved radial distribution functions demonstrate arising triplet clusters of fermions, that is the consequence of the interference of exchange and interparticle interactions. The semiclassical analysis in the framework of the Bohr-Sommerfeld quantization condition, applied to the potential of the mean force corresponding to the same-spin radial distribution functions, allows to detect exchange-correlation bound states in triplet clusters and to estimate corresponding averaged energy levels.

One-component plasma of a million particles via angular-averaged Ewald potential: A Monte Carlo study.

In this work we derive a correct expression for the one-component plasma (OCP) energy via the angular-averaged Ewald potential (AAEP). Unlike Yakub and Ronchi [J. Low Temp.

Continuous Kubo-Greenwood formula: Theory and numerical implementation.

In this paper, we present the so-called continuous Kubo-Greenwood formula intended for the numerical calculation of the dynamic Onsager coefficients and, in particular, the real part of dynamic electrical conductivity. In contrast to the usual Kubo-Greenwood formula, which contains the summation over a discrete set of transitions between electron energy levels, the continuous one is formulated as an integral over the whole energy range. This integral includes the continuous functions: the smoothed squares of matrix elements, D(ɛ,ɛ+ℏω), the densities of state, g(ɛ)g(ɛ+ℏω), and the difference of the Fermi weights, [f(ɛ)-f(ɛ+ℏω)]/(ℏω).