Related papers: Exchange-correlation entropy from the generalized …
Static and dynamical properties of elastic phase transitions under the influence of short--range defects, which locally increase the transition temperature, are investigated. Our approach is based on a Ginzburg--Landau theory for…
In the deep-strong coupling (DSC) regime, the interaction between light and matter exceeds their bare frequencies, leading to an effective decoupling. Theoretical and experimental evidence for this behavior has relied solely on measurements…
Recent experimental advances in strongly coupled light-matter systems has sparked the development of general ab-initio methods capable of describing interacting light-matter systems from first principles. One of these methods,…
We explore several random phase approximation (RPA) correlation energy variants within the adiabatic-connection fluctuation-dissipation theorem approach. These variants differ in the way the exchange interactions are treated. One of these…
Every time a chemical reaction occurs, an energy exchange between reactants and environment exists, which is defined as the enthalpy of the reaction. In the last decades, research has resulted in an increasing number of devices at the…
We analyze the density functional theory (DFT) description of weak interactions by employing diffusion and reptation quantum Monte Carlo (QMC) calculations, for a set of benzene-molecule complexes. While the binding energies depend…
We propose a novel component to the understanding of the temperature structure of galaxy clusters which does not rely on any heating or cooling mechanism. The new ingredient is the use of non-extensive thermo-statistics which is based on…
We present a detailed study of the finite temperature dynamical properties of the quantum Potts model in one dimension.Quasiparticle excitations in this model have internal quantum numbers, and their scattering matrix {\gf deep} in the…
We present a mesoscopic model for thermoelectric phenomena in terms of an interacting particle system, a lattice electron gas dynamics that is a suitable extension of the standard simple exclusion process. We concentrate on electronic heat…
In this paper we investigate the effect of strong electronic interactions on the thermoelectric properties of a simple generic system, consisting of a single correlated layer sandwiched between two metallic leads. Results will be given for…
We show that for any liquid or solid with strong correlation between its $NVT$ virial and potential-energy equilibrium fluctuations, the temperature is a product of a function of excess entropy per particle and a function of density,…
The dynamical exchange-correlation kernel $f_{xc}$ of a non-uniform electron gas is an essential input for the time-dependent density functional theory of electronic systems. The long-wavelength behavior of this kernel is known to be of the…
Many recent applications of time-dependent density functional theory begin in an initially excited state, and propagate it using an adiabatic approximation for the exchange-correlation potential. This however inserts the excited-state…
Studies of the Gaussian core model (GCM) have shown that it behaves like a mean field model and the properties are quite different from standard glass former. In this work we investigate the entropies, namely the excess entropy ($S_{ex}$)…
The shift in condensation temperature caused by interactions is studied up to second order in the s-wave scattering length in a Bose-Einstein condensate trapped in a temperature-dependent three-dimensional generic potential. With no…
Electron transfer coupled to a collective vibronic degree of freedom is studied in strongly condensed phase and at lower temperatures where quantum fluctuations are essential. Based on an exact representation of the reduced density matrix…
We calculate the optical spectra of silicon and germanium in the adiabatic time-dependent density functional formalism, making use of kinetic energy density-dependent (meta-GGA) exchange-correlation functionals. We find excellent agreement…
Semilocal exchange-correlation functionals are the most accurate, realistic and widely used ones to describe the complex many-electron effects of two-dimensional quantum systems. Beyond local density approximation, the generalized gradient…
We investigate experimentally the entropy transfer between two distinguishable atomic quantum gases at ultralow temperatures. Exploiting a species-selective trapping potential, we are able to control the entropy of one target gas in…
We compute the ground-state properties of finite systems of neutrons in an external harmonic trap, interacting via the Minnesota potential, using the "exact-exchange" form of orbital-dependent density functional theory. We compare our…