Related papers: Second-order electronic correlation effects in a o…
The Roth's two-pole approximation has been used by the present authors to study the effects of the hybridization in the superconducting properties of a strongly correlated electron system. The model used is the extended Hubbard model which…
Using a first-principles approach based on density functional theory and dynamical mean field theory, we study the electronic properties of a new candidate polar metal SrEuMo$_2$O$_6$. Its electronic structure shares similarities with…
Based on a symmetry argument we systematically reveal Hartree-Fock broken-symmetry solutions of the one-dimensional two-band extended Peierls-Hubbard model, which covers various materials of interest such as halogen-bridged metal complexes…
We investigate the doping-driven metal-insulator transition of the (2+1)-dimensional Hubbard model in the path-integral formalism with the tensor renormalization group method. We calculate the electron density $\langle n\rangle$ as a…
Correlations between electrons and the effective dimensionality are crucial factors that shape the properties of an interacting electron system. For example, the onsite Coulomb repulsion, U, may inhibit, or completely block the intersite…
Polar metals characterized by the simultaneous coexistence of ferroelectric distortions and metallicity have attracted tremendous attention. Developing such materials at low dimensions remains challenging since both conducting electrons and…
We present precise values of electric polarizabilities for the ground state of Zn due to second-order dipole and quadrupole interactions, and due to third-order dipole-quadrupole interactions. These quantities are evaluated in the linear…
In this letter, we have studied the effects of proximity of a superconductor to a normal metal. The system, represented by a bilayer attractive Hubbard model, is investigated using layer-dynamical mean field theory and iterated perturbation…
We search for anomalous normal and superconductive behavior in the two-band Hubbard model with one narrow band. We analyze the influence of electron-polaron effect and Altshuler-Aronov effect on effective mass enhancement and scattering…
We investigate a possibility of Hund's metal behavior in the Hubbard model with asymmetric density of states having peak(s). Specifically, we consider the degenerate two-band model and compare its results to the five-band model with…
The physical mechanism for metal ablation induced by femtosecond laser irradiation was investigated. Results of calculations based on finite-temperature density functional theory (FTDFT) indicate that condensed copper becomes unstable at…
We propose that the experimentally observed resistivity upturn of cuprates at low temperatures may be explained by properly accounting for the effects of disorder in a strongly correlated metallic host. Within a calculation of the DC…
We present a scalable single-particle framework to treat electronic correlation in molecules and materials motivated by Green's function theory. We derive a size-extensive Brillouin-Wigner perturbation theory from the single-particle…
We extend density matrix embedding theory to periodic systems, resulting in an electronic band structure method for solid-state materials. The electron correlation can be captured by means of a local impurity model using various choices of…
Motivated by recent experiments realizing correlated phenomena and superconductivity in 2D van der Waals devices, we consider the general problem of whether correlation effects may be enhanced by modifying band structure while keeping a…
We investigate the parity ($\mathcal{P}$) and time-reversal ($\mathcal{T}$) symmetry violating effects in the CdH molecule and perform the relativistic coupled-cluster calculation of the molecular parameters- $E_\text{eff}$, $W_\text{s}$…
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 bond order wave (BOW) phase of the extended Hubbard model (EHM) in one dimension (1D) is characterized at intermediate correlation $U = 4t$ by exact treatment of $N$-site systems. Linear coupling to lattice (Peierls) phonons and…
The interrelation between disorder and interactions in two dimensional electron liquid is studied beyond weak coupling perturbation theory. Strong repulsion significantly reduces the electronic density of states on the Fermi level. This…
A new electronic structure model is developed in which the ground state energy of a molecular system is given by a Hartree-Fock-like expression with parametrized one- and two-electron integrals over an extended (minimal + polarization) set…