Related papers: Exchange-correlation entropy from the generalized …
The time-dependent exchange-correlation potential has an unusual task in directing fictitious non-interacting electrons to move with exactly the same probability density as true interacting electrons. This has intriguing implications for…
The competition between evolution time, interaction strength, and temperature challenges our understanding of many-body quantum systems out-of-equilibrium. Here we consider a benchmark system, the Hubbard dimer, which allows us to explore…
Continuous-variable quantum thermodynamics in the Gaussian regime provides a promising framework for investigating the energetic role of quantum correlations, particularly in optical systems. In this work, we introduce an entropy-free…
We have studied the correlation potentials produced by various adiabatic connection models (ACM) for several atoms and molecules. The results have been compared to accurate reference potentials (coupled cluster and quantum Monte Carlo…
Exchange interactions are a manifestation of the quantum mechanical nature of the electrons and play a key role in predicting the properties of materials from first principles. In density functional theory (DFT), a widely used approximation…
We investigate the crossover of the entanglement entropy towards its thermal value in nearly integrable systems. We employ equation of motion techniques to study the entanglement dynamics in a lattice model of weakly interacting spinless…
The non-equilibrium process due to irreversible heat exchanges occurring during a temperature modulated differential scanning calorimetry experiment is investigated in detail. This enables us to define an experimental frequency dependent…
Today, most application of time-dependent density functional theory (TDDFT) use adiabatic exchange-correlation (XC) potentials that do not take into account non-local temporal effects. Incorporating such "memory" terms into XC potentials is…
Starting from the general expression for the ground state correlation energy in the adiabatic connection fluctuation dissipation theorem (ACFDT) framework, it is shown that the dielectric matrix formulation, which is usually applied to…
The rigorous diagnostics of experiments with warm dense matter (WDM) is notoriously difficult. A key method is given by X-ray Thomson scattering (XRTS), but the interpretation of XRTS measurements is usually based on theoretical models that…
The brightness of the emission from coronal loops in the solar atmosphere is strongly dependent on the temperature and density of the confined plasma. After a release of energy, these loops undergo a heating and upflow phase, followed by a…
The presence of a quantum critical point can significantly affect the thermodynamic properties of a material at finite temperatures. This is reflected, e.g., in the entropy landscape S(T; c) in the vicinity of a quantum critical point,…
We show that the time dependent single electron, nuclear density matrix of an interacting electronic system coupled to nuclear degrees of freedom can be exactly reproduced by that of an electronic system with arbitrarily specified…
The exact exchange-correlation (xc) potential of time-dependent density functional theory has been shown to have striking features. For example, step and peak features are generically found when the system is far from its ground-state, and…
A number of recent experiments report the low-temperature thermopower $\alpha$ and specific heat coefficients $\gamma=C_V/T$ of strongly correlated electron systems. Describing the charge and heat transport in a thermoelectric by transport…
The adiabatic connection of density functional theory (DFT) for electronic systems is generalized here to negative values of the coupling strength $\alpha$ (with {\em attractive} electrons). In the extreme limit $\alpha\to-\infty$ a simple…
Exchange-correlation potentials vxc and energy densities exc are derived for integer and fractional electron counts using an orbital-averaged Kohn-Sham inversion procedure. The reference densities for inversion come from full configuration…
The Hubbard model is investigated in the framework of lattice density functional theory (LDFT). The single-particle density matrix $\gamma_{ij}$ with respect the lattice sites is considered as the basic variable of the many-body problem. A…
We consider the effect of a thermal bath on quantum correlations induced by the gravitational interaction in the weak field limit between two massive cat states, called gravitational cat (gravcat) states. The main goal of this paper is to…
We study the detection of electrons undergoing coherent transfer via adiabatic passage (CTAP) in a triple quantum-dot system with a quantum point-contact sensing the change of the middle dot. In the ideal scenario, the protocol amounts to…