Related papers: Exchange constants for local spin Hamiltonians fro…
In this chapter we review the quantitative and qualitative aspects of describing the properties of magnetic solids on the basis of electronic Hamiltonian. We show that a spin Hamiltonian approach becomes consistent with an electronic…
We investigate the classical counterpart of an effective Hamiltonian for a strongly trimerized kagome lattice. Although the Hamiltonian only has a discrete symmetry, the classical groundstate manifold has a continuous global rotational…
Quantum embedding theories are promising approaches to investigate strongly-correlated electronic states of active regions of large-scale molecular or condensed systems. Notable examples are spin defects in semiconductors and insulators. We…
We study the entanglement Hamiltonian for free-fermion chains with a particular form of inhomogeneity. The hopping amplitudes and chemical potentials are chosen such that the single-particle eigenstates are related to discrete orthogonal…
Electronic structure calculations are routinely carried out within the framework of density-functional theory, often with great success. For electrons in reduced dimensions, however, there is still a need for better approximations to the…
We derive symmetry-based conditions for tight-binding Hamiltonians with flatbands to have compact localized eigenstates occupying a single unit cell. The conditions are based on unitary operators commuting with the Hamiltonian and…
We present a numerical method which accurately computes the discrete spectrum and associated bound states of Hamiltonians which model electronic "edge" states localized at boundaries of one and two-dimensional crystalline materials. The…
We derive a set of equations expressing the parameters of the magnetic interactions characterizing a strongly correlated electronic system in terms of single-electron Green's functions and self-energies. This allows to establish a mapping…
We have developed an efficient computational method to treat long, one-dimensional systems of strongly-interacting atoms forming self-assembled spin chains. Such systems can be used to realize many spin chain model Hamiltonians tunable by…
The correlation holes for densities of equal and opposite spin around a test electron are determined from the Schr\"{o}dinger equation with proper boundary conditions. The traditional "exchange" term follows from the boundary condition…
An electronic orbital of a dihedral angle of a molecular chain is introduced. A tight-binding Hamiltonian on the basis of the dihedral orbitals is defined. This yields the Green's function between two dihedral angles of the chain. It is…
We use the method of invariants to derive one- and two-band effective Hamiltonians of a noncentrosymmetric two-dimensional electron gas, in the presence of magnetic field. A complete classification of the antisymmetric spin-orbit and…
We present a method for total energy minimizations and molecular dynamics simulations based either on tight-binding or on Kohn-Sham hamiltonians. The method leads to an algorithm whose computational cost scales linearly with the system…
We discuss the construction of low-energy tight-binding Hamiltonians for condensed matter systems with a strong coupling to the quantum electromagnetic field. Such Hamiltonians can be obtained by projecting the continuum theory on a given…
We introduce the concept of a "transitory" dynamical system---one whose time-dependence is confined to a compact interval---and show how to quantify transport between two-dimensional Lagrangian coherent structures for the Hamiltonian case.…
Experimental platforms based on trapped ions, cold molecules, and Rydberg atoms have made possible the investigation of highly-nonlocal spin-${1/2}$ Hamiltonians with long-range couplings. Here, we study the effects of such non-local…
We consider the moduli space of flat connections on the Riemann surface with marked points. The new efficient parametrization is suggested and used to construct an integrable model on the moduli space. A family of commuting Hamiltonians is…
A simple derivation of the effective spin-wave Hamiltonian for a double-exchange system with infinitely large Hund's-rule coupling is demonstrated. The formalism can be applied to models with arbitrary range of hopping as well as those with…
We show that atoms trapped in micro-cavities that interact via exchange of virtual photons can model an anisotropic Heisenberg spin-1/2 chain in an external magnetic field. All parameters of the effective Hamiltonian can individually be…
The nature of delocalization in a 1D system ruled by a tight-binding Hamiltonian is investigated. Using a local evaluation of the ground state energy, it is shown that the range of the delocalization effects is rather limited. The method is…