Related papers: Wide Ranging Equation of State with Tartarus: a Hy…
A quasi-particle model is employed to derive from available lattice QCD calculations an equation of state useable in hydrodynamical simulations of the expansion stage of strongly interacting matter created in ultra-relativistic heavy-ion…
This paper develops a finite-difference analogue of the boundary integral/element method for the numerical solution of two-dimensional exterior scattering from scatterers of arbitrary shapes. The discrete fundamental solution, known as the…
The dynamics of the approach to equilibrium of the hydrogen atom is investigated numerically through a Monte Carlo procedure. We show that, before approaching ionization, the hydrogen atom may live in a quasi-equilibrium state,…
We use replica exchange Monte-Carlo simulations to measure the equilibrium equation of state of the disordered fluid state for a binary hard sphere mixture up to very large densities where standard Monte-Carlo simulations do not easily…
In this work we develop an implementation of the Wang--Landau algorithm [Phys. Rev. Lett. \textbf{86}, 2050-2053 (2001)]. This algorithm allows us to find the density of states (DOS), a function that, for a given system, describes the…
We study finite-temperature properties of ultracold four-component mixtures of alkaline-earth-like atoms in optical lattices that can be effectively described by the two-band spin-$1/2$ Hubbard model including the Hund's exchange coupling…
In a quasi-particle model of QCD matter at finite temperature with thermal masses for quarks and gluons from hard thermal loops, the equation of state (EOS) can be described by an effective temperature dependence of the strong coupling…
The closed analytical expression for the electron density of states function in a rectangular lattice is derived in an elementary way in terms of complete elliptic integrals of the first kind. The lattice can be treated as a deformed square…
Plutonium dioxide is of high technological importance in nuclear fuel cycle and is particularly crucial in long-term storage of Pu-based radioactive waste. Using first-principles density-functional theory, in this paper we systematically…
{Many-body quantum states at thermal equilibrium are ubiquitous in nature. Investigating their dynamical properties is a formidable task due to the complexity of the Hilbert space they live in. Quantum computers may have the potential to…
The fidelity of collisional-radiative (CR) models is critical for advancing our understanding of radiative properties and ionization balance in fusion plasmas. In this work, we present and evaluate hybrid CR schemes that combine…
This paper investigates the state estimation of a high-fidelity spatially resolved thermal- electrochemical lithium-ion battery model commonly referred to as the pseudo two-dimensional model. The partial-differential algebraic equations…
We present an overview of electronic device modeling using non-equilibrium Green function techniques. The basic approach developed in the early 1970s has become increasingly popular during the last 10 years. The rise in popularity was…
Gas phase density-functional theory (DFT) and time-dependent DFT (TD-DFT) calculations are reported for a data base of 98 ruthenium(II) polypyridine complexes. Comparison with X-ray crystal geometries and with experimental absorption…
The Logarithmic Linear Relaxation (LLR) algorithm is an efficient method for computing densities of states for systems with a continuous spectrum. A key feature of this method is exponential error reduction, which allows us to evaluate the…
We extend finite-temperature tensor network methods to compute Matsubara imaginary-time correlation functions, building on the minimally entangled typical thermal states (METTS) and purification algorithms. While imaginary-time correlation…
We present an efficient Monte Carlo algorithm for determining the density of states which is based on the statistics of transition probabilities between states. By measuring the infinite temperature transition probabilities--that is, the…
We analyze the equation of state of 2+1 flavor lattice QCD at zero baryon density by constructing the simple quark-hadron hybrid model that has both quark and hadron components simultaneously. We calculate hadron and quark contribution…
We provide an equation of state for high density supernova matter by applying a momentum-dependent effective interaction. We focus on the study of the equation of state of high-density and high-temperature nuclear matter containing leptons…
In plasmas, electronic states can be well localized bound states or itinerant free states, or something in between. In self-consistent treatments of plasma electronic structure such as the average atom model, all states must be accurately…