Related papers: Effective potential analytic continuation calculat…
Very recently, we introduced a set of correlation consistent effective core potentials (ccECPs) constructed within full many-body approaches. By employing significantly more accurate correlated approaches we were able to reach a new level…
We study the charmonium spectral functions at finite momentum and the dispersion relation of $\eta_c$ at finite temperature. For the analysis of the spectral function, we use an extended maximum entropy method (MEM). We perform the MEM…
According to the nonequilibrium work relations, path-ensembles generated by irreversible processes in which a system is driven out of equilibrium according to a predetermined protocol may be used to compute equilibrium free energy…
Adiabatic quantum computing (AQC) is a promising approach for discrete and often NP-hard optimization problems. Current AQCs allow to implement problems of research interest, which has sparked the development of quantum representations for…
We present a new density-functional method of the self-consistent electronic-structure calculation which does not exploit any local density approximations (LDA). We use the exchange-correlation energy which consists of the exact exchange…
Nonlinear receding horizon model predictive control is a powerful approach to controlling nonlinear dynamical systems. However, typical approaches that use the Jacobian, adjoint, and forward-backward passes may lose fidelity and efficacy…
Controlling the temperature of nano-scale quantum systems is becoming increasingly important in the efforts to develop thermal devices such as quantum heat valves, heat engines, and refrigerators, and to explore fundamental concepts in…
Interatomic potentials approximate the potential energy of atoms as a function of their coordinates. Their main application is the effective simulation of many-atom systems. Here, we review empirical interatomic potentials designed to…
In the present communication we consider the one-dimensional (1D) isotopically disordered lattice with the harmonic potential. Our analytical method is adequate for any 1D lattice where potential energy can be presented as the quadratic…
Effective harmonic methods allow for calculating temperature dependent phonon frequencies by incorporating the anharmonic contributions into an effective harmonic Hamiltonian. The systematic errors arising from such an approximation are…
Photo-thermal methods for measuring thermal diffusivity inherently pose an ill-posed inverse problem, affected by factors such as sample thickness, heating or cooling time, and excitation energy. Measurement accuracy becomes particularly…
One of the key hallmarks of dense active matter in the liquid, supercooled, and solid phases is so-called equal-time velocity correlations. Crucially, these correlations can emerge spontaneously, i.e., they require no explicit alignment…
Warm dense matter is a highly energetic phase characterized by strong correlations, thermal effects, and quantum mechanical electrons. Thermal density functional theory is commonly used in simulations of this challenging phase, driving the…
The finite temperature one-loop effective potential for a scalar field defined on an ultrastatic spacetime, whose spatial part is a compact hyperbolic manifold, is studied. Different analytic expressions, especially valuable at low and high…
We study coupled quantum systems as the working media of thermodynamic machines. Under a suitable phase-space transformation, the coupled systems can be expressed as a composition of independent subsystems. We find that for the coupled…
The Quantum Monte Carlo (QMC) method can yield the imaginary-time dependence of a correlation function $C(\tau)$ of an operator $\hat O$. The analytic continuation to real-time proceeds by means of a "numerical inversion" of these data to…
The relationship between the mean-field approximations in various interacting models of statistical physics and measures of classical and quantum correlations is explored. We present a method that allows us to bound the total amount of…
We review the current status of one dimensional periodic potentials and also present several new results. It is shown that using the formalism of supersymmetric quantum mechanics, one can considerably enlarge the limited class of…
A model of coupled molecular oscillators is proposed to study nonequilibrium thermodynamics of synchronization. We find that synchronization of nonequilibrium oscillators costs energy even when the oscillator-oscillator coupling is…
One of the principal objectives of quantum thermodynamics is to explore quantum effects and their potential beneficial role in thermodynamic tasks like work extraction or refrigeration. So far, even though several papers have already shown…