Related papers: Off-diagonal Interactions, Hund's Rules and Pair-b…
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…
Long range interactions are relevant for a wide range of phenomena in physics where they often present a challenge to theory. In condensed matter, the interplay of Coulomb interaction and disorder remains largely an unsolved problem. In two…
We show that in the translation invariant case and in the antiferromagnetic phase, the reduced density matrix $\rho _2$ has no off-diagonal long-range order of on-site electron pairs for the single-band Hubbard model on a cubic lattice away…
A pair density wave (PDW) is a superconducting (SC) state with spatially modulated order parameter. Although much is known about the properties of the PDW state, its realization in microscopic models with divergent susceptibility has been…
Excitonic density-wave states realized by the quantum condensation of electron-hole pairs (or excitons) are studied in the two-band Hubbard model with Hund's rule coupling and the pair hopping term. Using the variational cluster…
We examine the effects of a van Hove singularity (vHs) in the density of states (DOS) of a two dimensional, $t-t'-U$ Hubbard model within the local approximation. Within our approximation the non-interacting Fermi surface is always retained…
The influence of short-range interactions between a multi-phase, multi-component mixture and a solid wall in confined geometries is crucial in life sciences and engineering. In this work, we extend the Cahn-Hilliard model with dynamic…
We perform model calculations for a stretched LiF molecule, demonstrating that nonadiabatic charge transfer effects can be accurately and seamlessly described within a density functional framework. In alkali halides like LiF, there is an…
We have studied the Hubbard model with bond-charge interaction on a triangular lattice for a half-filled band. At the point of particle-hole symmetry the model could be analyzed in detail in two opposite regimes of the parameter space.…
We study an extended Hubbard model with on-site repulsion and nearest neighbors attraction which tries to mimic some of the experimental features of doped cuprates in the superconducting state. We draw and discuss the phase diagram as a…
Using the one-dimensional Hubbard model, which is commonly used for describing, e.g., high-$T_c$ superconducting cuprates, we study high-harmonic generation (HHG) from doped, correlated materials. Doping is modeled by changing the number of…
We study the one-dimensional tight-binding models which include a slowly varying, incommensurate off-diagonal modulation on the hopping amplitude. Interestingly, we find that the mobility edges can appear only when this off-diagonal…
After Anderson's prediction of disorder-induced insulating behavior, extensive work found no singularities in the density of states of localized systems. However, Johri and Bhatt recently uncovered the existence of a non-analyticity in the…
Using the Constrained Path Monte Carlo (CPMC) method, we simulated the two-dimensional, three-band Hubbard model to study pairing, charge, and spin correlations as a function of electron and hole doping and the Coulomb repulsion $V_{pd}$…
The effect of the Hund's J terms in various DFT+U+J corrections to semi-local spin-density functional theory is assessed for a series of four octahedrally coordinated Fe(II) spin-crossover molecules spanning the covalent end of the ligand…
We study a magnetic impurity embedded in a correlated electron system using the density-matrix renormalization group method. The correlated electron system is described by the one-dimensional Hubbard model. At half filling, we confirm that…
Recent experiments revealed a striking asymmetry in the phase diagram of the high temperature cuprate superconductors. The correlation effect seems strong in the hole-doped systems and weak in the electron-doped systems. On the other hand,…
Band structures of C60-polymers are studied changing conjugation conditions and the electron number. We use a Su-Schrieffer-Heeger type semiempirical model. In the neutral C60-polymer, electronic structures change among direct-gap insulator…
The two dimensional Hubbard model in the presence of diagonal and off-diagonal disorder is studied at half filling with a finite temperature quantum Monte Carlo method. Magnetic correlations as well as the electronic compressibility are…
Suppression of electron motion under an alternating current (AC) electric field is examined in a one-dimensional Hubbard model. Utilizing three complementary calculation methods, it is found unambiguously that magnitudes of the…