Related papers: Solving lattice density functionals close to the M…
For a hard-core Bose gas on a one-dimensional lattice we find characteristic oscillations in the density-density correlation function. Their wavelength diverges as the system undergoes a continuous transition from an incommensurate to a…
Interacting fermions on the half-filled honeycomb lattice with short-range repulsions have been suggested to host a variety of interesting many-body ground states, e.g., a topological Mott insulator. A number of recent studies of the…
A modified Pade approach is presented as analytic continuation for numerical methods that evaluate correlation functions in imaginary time. Instead of the direct analytic continuation of the correlation functions, the Pade method is applied…
This review explains the relationship between density functional theory and strongly correlated models using the simplest possible example, the two-site Hubbard model. The relationship to traditional quantum chemistry is included. Even in…
The recent non-empirical semi-local exchange functional of Armiento and K\"ummel, the AK13 [PRL 111, 036402 (2013)] incorporates a number of features reproduced by higher-order theory. The AK13 potential behaves analogously with the…
In this study, we examine the superconducting instability of a quasi-one-dimensional lattice in the Hubbard model based on the random-phase approximation (RPA) and the fluctuation exchange (FLEX) approximation. We find that a spin-singlet…
We calculate the phase diagram of the Bose-Hubbard model on a half-filled ladder lattice including the effect of finite on-site interactions. This shows that the rung-Mott insulator (RMI) phase persists to finite interaction strength, and…
Recent experimental realizations of artificial gauge fields for cold atoms are promising for generating steady states carrying a mass current in strongly correlated systems, such as the Bose-Hubbard model. Moreover, a homogeneous condensate…
It is shown here that Kohn-Sham equations cannot be derived from Hohenberg-Kohn theory without an additional postulate. Assuming that a functional derivative with respect to total electron density exists leads in general to a theory…
We examine the performance of the density matrix embedding theory (DMET) recently proposed in [G. Knizia and G. K.-L. Chan, Phys. Rev. Lett. 109, 186404 (2012)]. The core of this method is to find a proper one-body potential that generates…
Discrete particle simulation, a combined approach of computational fluid dynamics and discrete methods such as DEM (Discrete Element Method), DSMC (Direct Simulation Monte Carlo), SPH (Smoothed Particle Hydrodynamics), PIC…
Standard approximations for the exchange-correlation (XC) functional in Kohn-Sham density functional theory (KS-DFT) typically lead to unacceptably large errors when applied to strongly-correlated electronic systems. Partition-DFT (PDFT) is…
Locality of compact one-electron orbitals expanded strictly in terms of local subsets of basis functions can be exploited in density functional theory (DFT) to achieve linear growth of computation time with systems size, crucial in…
The lattice constant, bulk modulus and shear constant of TbN are calculated by means of density functional theory (DFT) in the local density approximation (LDA) and generalized gradient approximation (GGA), with 4f-states treated as valence…
In this paper, we study the influence of spatial fluctuations in a two-dimentional Kondo-Lattice model (KLM) with anti-ferromagnetic couplings. To accomplish this, we first present an implementation of the dual-fermion (DF) approach based…
We introduce a novel mesoscopic computational model based on a multiphase-multicomponent lattice Boltzmann method for the simulation of self-phoretic particles in the presence of liquid-liquid interfaces. Our model features fully resolved…
In systems where interactions couple a central degree of freedom and a bath, one would expect signatures of the bath's phase to be reflected in the dynamics of the central degree of freedom. This has been recently explored in connection…
We propose an experiment to obtain the phase diagram of the fermionic Hubbard model, for any dimensionality, using cold atoms in optical lattices. It is based on measuring the total energy for a sequence of trap profiles. It combines…
Coupling dynamical charges to gauge fields can result in highly non-local interactions with a linear confining potential. As a consequence, individual particles bind into mesons which, in one dimension, become the new constituents of…
The dynamical cluster approximation (DCA) is a systematic extension beyond the single site approximation in dynamical mean field theory (DMFT), to include spatially non-local correlations in quantum many-body simulations of strongly…