Related papers: Ab initio Derivation of Low-Energy Model for Alkal…
We present a model intended for rapid sampling of ground and excited state potential energy surfaces for first-row transition metal active sites. The method is computationally inexpensive and is suited for dynamics simulations where (1)…
We propose using ultracold fermionic atoms trapped in a periodically shaken optical lattice as a quantum simulator of the t-J Hamiltonian, which describes the dynamics in doped antiferromagnets and is thought to be relevant to the problem…
A one-dimensional model of electrons locally coupled to spin-1/2 degrees of freedom is studied by numerical techniques. The model is one in the class of $dynamic$ $Hubbard$ $models$ that describe the relaxation of an atomic orbital upon…
In order to gain a deep insight into $f$-electron properties of filled skutterudite compounds from a microscopic viewpoint, we investigate the multiorbital Anderson model including Coulomb interactions, spin-orbit coupling, and crystalline…
The Hubbard model on a semi-infinite three-dimensional lattice is considered to investigate electron-correlation effects at single-crystal surfaces. The standard second-order perturbation theory in the interaction U is used to calculate the…
We develop series expansions for the ground state properties of the Hubbard model, by introducing an Ising anisotropy into the Hamiltonian. For the two-dimensional (2D) square lattice half-filled Hubbard model, the ground state energy,…
The multiorbital Hubbard model in the strong coupling limit is analyzed for the effectively antiferromagnetic Hund's coupling relevant to fulleride superconductors with three orbitals per molecule. The localized spin-orbital model describes…
Spin generalization of the relativistic Calogero-Sutherland model is constructed by using the affine Hecke algebra and shown to possess the quantum affine symmetry $\uqglt$. The spin-less model is exactly diagonalized by means of the…
We use large scale quantum Monte Carlo simulations to study an extended version of the canonical Shastry-Sutherland model -- including additional interactions and exchange anisotropy -- over a wide range of interaction parameters and an…
The $s_{i}={1/2}$ nearest neighbor antiferromagnetic Heisenberg model is considered for spins sitting on the vertices of clusters with the connectivity of fullerene molecules and a number of sites $n$ ranging from 24 to 32. Using the…
We study the phase diagram of the two-dimensional repulsive Hubbard model with spin-dependent anisotropic hopping at half-filling. The system develops Ising antiferromagnetic long-range order already at infinitesimal repulsive interaction…
Localized defects, unavoidable in real solids, may be simulated in (generically defect-free) cold-atom systems, e.g., via modifications of the optical lattice. We study the Hubbard model on a square lattice with single impurities, pairs of…
We present an efficient \textit{ab initio} method for calculating the electronic structure and total energy of strongly correlated electron systems. The method extends the traditional Gutzwiller approximation for one-particle operators to…
In quantum simulation, many-body phenomena are probed in controllable quantum systems. Recently, simulation of Bose-Hubbard Hamiltonians using cold atoms revealed previously hidden local correlations. However, fermionic many-body Hubbard…
This thesis investigates the magnetic, spectral, and transport properties of strongly correlated electronic systems, with a primary focus on the Hubbard model and its extensions relevant for real materials. Within the dynamical mean-field…
Implicit in the study of magnetic materials is the concept of spin Hamiltonians, which emerge as the low-energy theories of correlation-driven insulators. In order to predict and establish such Hamiltonians for real materials, a variety of…
We propose a modification of the cost function of the Hopfield model whose salient features shine in its Taylor expansion and result in more than pairwise interactions with alternate signs, suggesting a unified framework for handling both…
Here, we investigate the fractal-lattice Hubbard model using various numerical methods: exact diagonalization, the self-consistent diagonalization of a (mean-field) Hartree-Fock Hamiltonian and state-of-the-art Auxiliary-Field Quantum Monte…
Common density-matrix functionals, the M\"uller and the power functional, have been benchmarked for the half-filled Hubbard dimer, which allows to model the bond dissociation problem and the transition from the weakly to the strongly…
We study the dynamical spin response of doped two-leg Hubbard-like ladders in the framework of a low-energy effective field theory description given by the SO(6) Gross Neveu model. Using the integrability of the SO(6) Gross-Neveu model, we…