Related papers: Superfluid LDA (SLDA): Local Density Approximation…

Simulating liquid water to an accuracy that matches its wealth of available experimental data requires both precise electronic structure methods and reliable sampling of nuclear (quantum) motion. This is challenging because applying the…

Two quasi-linear approximations, the frozen flow approximation (FFA) and the frozen potential approximation (FPA), have been proposed recently for studying the evolution of a collisionless self-gravitating fluid. In the FFA it is assumed…

Electrode-electrolyte interfaces are crucial for electrochemical energy conversion and storage. At these interfaces, the liquid electrolytes form electrical double layers (EDLs). However, despite more than a century of active research, the…

Time-dependent density-functional theory (TDDFT) is widely used to describe electronic excitations in complex finite systems with large numbers of atoms, such as biomolecules and nanocrystals. The first part of this paper will give a simple…

We theoretically present an economical and convenient way to study ground-state properties of a strongly interacting superfluid Fermi gas. Our strategy is that complicated strong-coupling calculations are used only to evaluate quantum…

We have designed a new multi-scale approach for Strongly Correlated Systems by combining the Dynamical Cluster Approximation (DCA) and the recently introduced dual-fermion formalism. This approach employs an exact mapping from a real…

Based on a simple approximation scheme we have computed the local density of states (LDOS) of the antiferromagnetic and ferromagnetic Kondo models for the full range of band occupations and coupling strengths. For both models the LDOS with…

We investigate two-component ultracold fermionic atoms with repulsive interactions trapped in an optical lattice with a ladder structure. By applying the Bogoliubov-de Gennes equations to an effective t-J model in the strong correlation…

We analyze the local density of states (LDOS) of heterostructures consisting of alternating ferromagnet, $F$, and superconductor, $S$, layers. We consider structures of the $SFS$ and $SFSFSFS$ type, with thin nanometer scale $F$ and $S$…

Site-occupation embedding theory (SOET) is an in-principle-exact multi-determinantal extension of density-functional theory for model Hamiltonians. Various extensions of recent developments in SOET [Senjean et al., Phys. Rev. B 97, 235105…

Applying three independent techniques, we give numerical evidence for a finite superfluid density in isotropic hole-doped t--J ladders: We show the existence of anomalous flux quantization, emphasising the contrasting behaviour to that…

We present an accurate, first-principles study of the electronic structure and absorption spectrum of bulk copper within Density Functional Theory in the Local Density Approximation (DFT-LDA), including the study of intraband transitions.…

The Dynamical Cluster Approximation (DCA) is used to study non-local corrections to the dynamical mean field phase diagram of the two-dimensional Hubbard model. Regions of antiferromagnetic, d-wave superconducting, pseudo-gapped non-Fermi…

A combination of density functional theory in its local density approximation (LDA) with k- and $\omega $ dependent self-energy found from fluctuational-exchange-type random phase approximation (FLEX-RPA) is utilized here to study…

We present an accurate implementation of total energy calculations into the local density approximation plus dynamical mean-field theory (LDA+DMFT) method. The electronic structure problem is solved through the full potential linear…

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…

Using local density correlation functions for a one-dimensional spin system, we introduce a correlation function difference (CFD) which compares correlations on a given site between a full system of size $L$ and its restriction to $\ell<L$…

Superconductivity (SC) or superfluidity (SF) is observed across a remarkably broad range of fermionic systems: in BCS, cuprate, iron-based, organic, and heavy-fermion superconductors, and superfluid helium-3 in condensed matter; in a…

The influence of ions on the bulk phase behavior of binary liquid mixtures acting as their solvents and on the corresponding interfacial structures close to a planar wall is investigated by means of density functional theory based on local…

Stochastic approximation with multiple coupled sequences (MSA) has found broad applications in machine learning as it encompasses a rich class of problems including bilevel optimization (BLO), multi-level compositional optimization (MCO),…