相关论文: Comparative analysis of methods for calculating Hu…
The magnetic properties of solids are typically analyzed in terms of Heisenberg models where the electronic structure is approximated by interacting localized spins. However, even in such models the evaluation of thermodynamic properties…
The random phase approximation (RPA) is attracting renewed interest as a universal and accurate method for first-principles total energy calculations. The RPA naturally accounts for long-range dispersive forces without compromising accuracy…
A new wavefunction which improves the Gutzwiller-type local ansatz method has been proposed to describe the correlated electron system. The ground-state energy, double occupation number, momentum distribution function, and quasiparticle…
The method of electronic structure calculations for strongly correlated disordered materials is developed employing the basic idea of coherent potential approximation (CPA). Evolution of electronic structure and spin magnetic moment value…
An interacting lattice model describing the subspace spanned by a set of strongly-correlated bands is rigorously coupled to density functional theory to enable ab initio calculations of geometric and topological material properties. The…
The present work studies aspects of the electronic correlation in confined H$^{-}$, He and Li$^+$ atoms in their ground states using the informational entropies. In this way, different variational wavefunctions are employed in order of…
A self-consistent calculation scheme for correlated electron systems is created based on the density-functional theory (DFT). Our scheme is a multi-reference DFT (MR-DFT) calculation in which the electron charge density is reproduced by an…
In this work, the dynamics of quark-antiquark pair systems is investigated by modelling them as general time-dependent 3D oscillators perturbed by a Coulomb potential. Solving this model enables the prediction of key mesonic properties such…
Szapudi et al (2001) introduced the method of estimating angular power spectrum of the CMB sky via heuristically weighted correlation functions. Part of the new technique is that all (co)variances are evaluated by massive Monte Carlo…
The one-band extended Hubbard model in two dimensions near band-filling 1/2 is solved in the fluctuation exchange approximation, including the long-range (1/r) part of the Coulomb interaction, up to 4th neighbor distance. Our results…
LibRPA is a software package designed for efficient calculations of random phase approximation (RPA) electron correlation energies from first principles using numerical atomic orbital (NAOs). Leveraging a localized resolution of identity…
We propose a method to calculate the charge dynamical structure factors for the ground states of correlated electron systems based on the variational Monte Carlo method. Our benchmarks for the one- and two-dimensional Hubbard models show…
In this thesis are shown developments in the random phase approximation (RPA) in the context of range-separated theories. We present advances in the formalism of the RPA in general, and particularly in the "dielectric matrix" formulation of…
A method is presented for analysis of correlation function of two non-identical particles with strong and Coulomb interactions, resonance formation, channel coupling and spin structure. For resonance reactions we derive a formula giving the…
We introduce a systematic expansion tailored to systems with strong local interactions and capable of computing response functions, including finite DC transport, analytically. The expansion is controlled by a small parameter $s^2$ that…
We introduce Coulomb interactions in the holographic description of strongly interacting systems, by performing a (current-current) double-trace deformation of the boundary theory. In the theory dual to a Reissner-Nordstr\"om background,…
The Hubbard model on a cube was revisited and extended by both nearest-neighbor (nn) Coulomb correlation and {nearest-neighbor} Heisenberg exchange. The complete eigensystem was computed exactly for all electron occupancies and all model…
In the present paper we study some correlation effects in a generalized Hubbard model with correlated hopping within low-temperature region using a generalized mean-field approximation. It is shown that in a series of cases the model leads…
Recent progress in treating the dynamically screened nature of the Coulomb interaction in strongly correlated lattice models and materials is reviewed with a focus on computational schemes based on the dynamical mean field approximation. We…
We calculate correlation functions of exactly-solvable one-dimensional flat-band models by utilizing the "molecular-orbital" representation. The models considered in this paper have a gapped ground state with flat-band being fully occupied,…