Related papers: Deducing correlation parameters from optical condu…
We present a general method for determining screened Coulomb parameters in molecular assemblies, in particular organic molecular crystals. This allows us to calculate the interaction parameters used in a generalized Hubbard model…
In the conventional BCS description of a superconductor the kinetic energy increases in the superconducting state. We describe the observed decrease in kinetic energy by adopting a simple model of electrons whose elastic scattering rate…
Using Linear Response Theory, with appropriate wave functions and energies from perturbation method, the absorption profiles can be calculated for all three classes of mixed-valence systems as defined by Robin and Day : Class III…
We show that the zero temperature susceptibility of the one-dimensional, dimerized Hubbard model at quarter-filling can be accurately determined on the basis of exact diagonalization of small clusters. The best procedure is to perform a…
Recent experiment has unveiled an anomalously strong electron-electron attraction in one-dimensional copper-oxide chain Ba$_{2-x}$Sr$_x$CuO$_{3+\delta}$. While the near-neighbor electron attraction $V$ in the one-dimensional extended…
Recent experimental results suggest that a particular hydrodynamic theory describes charge fluctuations at long wavelengths in the square-lattice Hubbard model. Due to the continuity equation, the correlation functions for the charge and…
We combine well-controlled analytical and numerical methods to determine the optical conductivity of the one-dimensional Mott-Hubbard insulator at zero temperature. A dynamical density-matrix renormalization group method provides the entire…
The applicability of the density functional based tight binding (DFTB) method to the description of hydrogen bond dynamics and infrared spectroscopy is addressed for the exemplary protic ionic liquid triethylammonium nitrate. Potential…
We calculate the photoemission spectral function of the one-dimensional Hubbard model away from half filling using the dynamical density matrix renormalization group method. An approach for calculating momentum-dependent quantities in…
We calculate the effective Coulomb repulsion between electrons/holes, U, and site energy for an isolated BEDT-TTF [bis(ethylenedithio)tetrathiafulvalene] molecule in vacuo. U=4.2 \pm 0.1 eV for 44 experimental geometries taken from a broad…
The one-band and three-band Hubbard models which describe the electronic structure of cuprates indicate very different values of effective electronic parameters, such as the on-site Coulomb energy and the hybridization strength. In…
Weakly interacting quantum fluids allow for a natural kinetic theory description which takes into account the fermionic or bosonic nature of the interacting particles. In the simplest cases, one arrives at the Boltzmann-Nordheim equations…
We present an extension of the c-axis tight-binding sum rule discussed by Chakravarty, Kee, and Abrahams [Phys. Rev. Lett. 82, 2366 (1999)] that applies to multilayer high-Tc cuprate superconductors (HTCS) and use it to estimate--from…
We study the optical conductivity of the one-band Hubbard model in the N\'eel state at half filling at T=0 using the dynamical mean-field theory. For small values of the Coulomb parameter clear signatures of a Slater insulator expected from…
With the help of a recently developed non-equilibrium approach, we investigate the ionic strength dependence of the Hubbard--Onsager dielectric decrement. We compute the depolarization of water molecules caused by the motion of ions in…
Calculation of conductivity in the Hubbard model is a challenging task. Recent years have seen much progress in this respect and numerically exact solutions are now possible in certain regimes. In this paper we discuss the calculation of…
We study the pole properties of $\Lambda(1405)$ in a model-independent manner by applying the Uniformized Mittag-Leffler expansion proposed in our previous paper. The resonant energy, width and residues are determined by expanding the…
The Helmholtz free-energy W is calculated as a function of separation distance for two molecules in a fluid, A and B, whose mutual interaction is described by a spherically symmetric potential. For the equilibrium A + B = AB occurring in a…
The aims of the reported work are to provide new insights into the quantum dot optical properties confined in an inverse of a quadratic Hellmann potential. The Schr\"odinger equation is solved using the Nikiforov-Uvarov (NU) method, in…
A combination of analytical approaches and quantum Monte Carlo simulations is used to study both magnetic and pairing correlations for a version of the Hubbard model that includes second-neighbor hopping $t^{\prime }=-0.35t$ as a model for…