Related papers: Exchange rules for diradical {\pi}-conjugated hydr…
Open-shell systems such as magnetic molecules or defects with a triplet ground state are challenging to describe in electronic structure methods, but are of great interest for quantum information applications. We demonstrate a spin-flip…
When an electron is confined to a triangular atomic thick layer of graphene [1-5] with zig-zag edges, its energy spectrum collapses to a shell of degenerate states at the Fermi level (Dirac point) [6-9]. The degeneracy is proportional to…
We present the zero-temperature phase diagram of the one-dimensional t2g-orbital Hubbard model, obtained using the density-matrix renormalization group and Lanczos techniques. Emphasis is given to the case for the electron density n=5…
We have studied zigzag and armchair graphene nano ribbons (GNRs), described by the Hubbard Hamiltonian using quantum many body configuration interaction methods. Due to finite termination, we find that the bipartite nature of the graphene…
A novel general method of describing the spin-lattice interactions in magnetic solids was proposed in terms of first principles calculations. The spin exchange and Dzyaloshinskii-Moriya interactions as well as their derivatives with respect…
We investigate the spin of a multielectron GaAs quantum dot in a sequence of nine charge occupancies, by exchange coupling the multielectron dot to a neighboring two-electron double quantum dot. For all nine occupancies, we make use of a…
The effects of interactions in a 2D electron system in a strong magnetic field of two degenerate Landau levels with opposite spins and at filling factors 1/2 are studied. Using the Chern-Simons gauge transformation, the system is mapped to…
We study electrons hopping on a kagome lattice at third filling described by an extended Hubbard Hamiltonian with on-site and nearest-neighbour repulsions in the strongly correlated limit. As a consequence of the commensurate filling and…
Nonlinear response of a Mott insulator to external electric field, corresponding to dielectric breakdown phenomenon, is studied within of a one-dimensional half-filled Hubbard model. It is shown that in the limit of nearly spin polarized…
The bound state spectra of the doublet states in three-electron atomic systems are investigated. By using different variational expansions we determine various bound state properties in these systems. Such properties include the…
Hubbard-like Hamiltonians are widely used to describe on-site Coulomb interactions in magnetic and strongly-correlated solids, but there is much confusion in the literature about the form these Hamiltonians should take for shells of p and d…
The recombination of a free electron into a bound state of bare, heavy nucleus under simultaneous production of bound-electron--free-positron pair is studied within the framework of relativistic first--order perturbation theory. This…
In this paper the spin configurations of the ground state and one- and two-electron excited states of the Hubbard model on the square lattice are studied. We profit from a general rotated-electron description, which is consistent with the…
The non-interacting energy spectrum of graphene and its bilayer counterpart consists of multiple degeneracies owing to the inherent spin, valley and layer symmetries. Interactions among charge carriers are expected to spontaneously break…
The pheomenological Generalized Coherent State Model Hamiltonian is amended with a many body term describing a set of nucleons moving in a shell model mean-field and interacting among themselves with paring, as well as with a particle-core…
Strong electron correlation effects in the photophysics of quasi-one-dimensional $\pi$-conjugated organic systems such as polyenes, polyacetylenes, polydiacetylenes, etc., have been extensively studied. Far less is known on correlation…
Few-electron states in carbon-nanotube quantum dots are studied by means of the configuration-interaction method. The peculiar non-interacting feature of the tunneling spectrum for two electrons, recently measured by Kuemmeth et al. [Nature…
The Relativistic Hartree Bogoliubov (RHB) model is applied in the description of ground-state properties of proton-rich odd-Z nuclei in the region $53 \leq Z \leq 69$. The NL3 effective interaction is used in the mean-field Lagrangian, and…
A quantitative description of the exchange interaction in quantum dots is relevant for modeling gate operations of spin qubits. By measuring the amplitude and frequency of exchange-driven qubit state oscillations, we measure the detuning…
We study a one-dimensional extended Hubbard model with longer-range Coulomb interactions at quarter-filling in the strong coupling limit. We find two different charge-ordered ground states as the strength of the longer range interactions is…