Related papers: Second-order electronic correlation effects in a o…
Using first principles calculations in the framework of Density Functional Theory, we investigated the electronic and transport properties of metal(II)-phthalocyanine (M(II)Pc) systems, both in a single molecule configuration and in a…
We study interplay of electronic correlation, randomness and dimensionality effects in half-filled random Hubbard chains weakly coupled via an interchain one-particle hopping. Based on the two-loop renormalization-group approach, phase…
Reduced dimensionality and strong electronic correlations, which are among the most important ingredients for cupratelike high-Tc superconductivity, characterize also the physics of nickelate-based heterostructures. Starting from the…
By using the measure of concurrence, mode entanglement of an electron moving in four kinds of one-dimensional determined and random potentials is studied numerically. The extended and local- ized states can be distinguished by mode…
The second-order reduced density matrix method (the RDM method) has performed well in determining energies and properties of atomic and molecular systems, achieving coupled-cluster singles and doubles with perturbative triples (CC SD(T))…
The effect of an alternating potential on a one-dimensional half-filled Hubbard model with repulsive interaction has been examined by applying the renormalization group method to the bosonized Hamiltonian. The electronic state, which is…
We present numerically exact solutions to the problem of a single electron interacting through a long range interaction with optical phonons in two and three dimensions. Comparisons are made with results for the standard Holstein model, and…
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…
The electronic structure, when restricted to the d-band approximation, is a computational model that is both efficient and useful for describing transition metals. In the absence of considering delocalized sp-states, this approximation…
We study charge transport across the metal-insulator crossover in the half-filled two-dimensional Hubbard model, with particular emphasis on precision control. The dynamic current-current correlation function is obtained directly in the…
We apply weak-coupling perturbation theory and strong-coupling perturbation theory to the Holstein molecular crystal model in order to elucidate the effects of anisotropy on polaron properties in D dimensions. The ground state energy is…
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…
We present a first-principles methodology, within the context of linear-response theory, that greatly facilitates the perturbative study of physical properties of metallic crystals. Our approach builds on ensemble density-functional theory…
In this paper we present a computational study of linear optical absorption in phenacene class of polyaromatic hydrocarbons. For the purpose, we have employed a correlated-electron methodology based upon configuration-interaction (CI)…
Starting from the $\pi$-electron Pariser-Parr-Pople (PPP) Hamiltonian which includes both strong electron-phonon and electron-electron interactions, we propose some strongly correlated wave functions of increasing quality for the ground…
Effects of electron correlation in FeSi are studied in terms of the two-band Hubbard model with the density of states obtained from the band calculation. Using the self-consistent second-order perturbation theory combined with the local…
We study the strong correlation effects in the vicinity of the Mott metal-insulator transition using coupled clean or disordered Hubbard chains with a infinitely large coordinate number $D_{\perp}\to\infty$ in the direction perpendicular to…
We have studied finite-sized single band models with short range pairing interactions between electrons in presence of diagonal Fibonacci modulation in one dimension. Two models, namely the attractive Hubbard model and the Penson-Kolb…
We demonstrate the importance of electron correlation effects in the hyperfine structure constants of many low-lying states in $^{210}$Fr and $^{212}$Fr. This is achieved by calculating the magnetic dipole and electric quadrupole hyperfine…
We study the dimensional dependence of the interplay between correlation and disorder in two dimension at half filling using 2D $t-t'$ disordered Hubbard model with deterministic disorder both at zero and finite temperatures. Inclusion of…