相关论文: Dynamical Functions of a 1D Correlated Quantum Liq…
We present results of a theoretical study of a prototypical weak ferromagnet ZrZn$_2$. We use the density-functional theory (DFT)+dynamical mean-field theory (DMFT) method to study the electronic and local magnetic properties. The obtained…
To examine the applicability of the time-dependent density-functional theory (TDDFT) for treating the electron-nucleus coupling in excited states, we calculate the strength distribution associated with the pi-pi* transition in ethylene. The…
In this Letter, we explore dynamics in a three-dimensional strongly interacting liquid. In quantum liquids discussed below, thermodynamic properties such as pressure and thermal energies are fully characterized by $s(T)$, the entropy…
In our short review, we consider the transport properties of strongly correlated Fermi systems like heavy fermion metals and high-$T_c$ superconductors. Their transport properties are defined by strong inter-particle interaction forming…
Finite-temperature DFT has become of topical interest, partly due to the increasing ability to create novel states of warm-correlated matter (WCM). Subclasses of WCM are Warm-dense matter (WDM), ultra-fast matter (UFM), and high-energy…
The density correlations of some singular Fermi liquids with anomalous properties such as resistivity varying linearly with T at low temperatures, a $T \log T$ contribution to the entropy and thermopower, etc., are expected to be quite…
We present a fully self-consistent combined GW and dynamical mean field (GW+DMFT) study of the spectral properties of the extended two-dimensional Hubbard model. The inclusion of the local dynamical vertex stemming from the DMFT self-energy…
We find the analytical solution to the time-dependent density-functional theory (TDDFT) problem for the quasi-low-dimensional (2D and 1D) electron gas (QLDEG) with only one band filled in the direction perpendicular to the system extent.…
Using the Bethe ansatz analysis as was reformulated by Edwards, we calculate the spectral properties of a particle interacting with a bath of fermions in one dimension for the case of equal particle-fermion masses. These are directly…
The Drude weight $D$ and the dc-conductivity $\sigma_{dc} (T)$ of strongly correlated electrons are investigated theoretically. Analytic results are derived for the homogeneous phase of the Hubbard model in $d = \infty$ dimensions, and for…
The frequency-dependent response of a one-dimensional fermion system is investigated using Current Density Functional Theory (CDFT) within the local approximation (LDA). DFT-LDA, and in particular CDFT-LDA, reproduces very well the…
Density functional theory (DFT), the most widely adopted method in modern computational chemistry, fails to describe accurately the electronic structure of strongly correlated systems. Here we show that DFT can be formally and practically…
We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT). Specifically, utilizing a local reformulation of the electrostatic and kernel terms, we…
In this chapter, we describe three related studies of the universal physics of two-component unitary Fermi gases with resonant short-ranged interactions. First we discuss an ab initio auxiliary field quantum Monte Carlo technique for…
The formalism of density functional theory (DFT) can be easily extended to the time dependent case (TDDFT). However, while in the static case the theory is well established and is expected to be, at least in principle, an exact approach for…
The practical success of density functional theory (DFT) is largely credited to the Kohn-Sham approach, which enables the exact calculation of the non-interacting electron kinetic energy via an auxiliary noninteracting system. Yet, the…
Dynamical mean-field theory (DMFT) is a non-perturbative technique for the investigation of correlated electron systems. Its combination with the local density approximation (LDA) has recently led to a material-specific computational scheme…
Stochastic and mixed stochastic-deterministic density functional theory (DFT) are promising new approaches for the calculation of the equation-of-state and transport properties in materials under extreme conditions. In the intermediate warm…
We present an extensive numerical study of ground-state properties of confined repulsively interacting fermions on one-dimensional optical lattices. Detailed predictions for the atom-density profiles are obtained from parallel Kohn-Sham…
We present the first calculation of fermion spectral function at finite temperature in quark-meson model in the framework of the functional renormalization group (FRG). We compare the results in two truncations, after first evolving flow…