Related papers: Effective Hamiltonian for FeAs based superconducto…
Three-types (three-band, two-band and one-band) of effective Hamiltonians for the HgBa$_2$CuO$_4$ and three-band effective Hamiltonian for La$_2$CuO$_4$ are derived beyond the level of the constrained-GW approximation combined with the…
Effective low-energy Hamiltonians for several different families of iron-based superconductors are compared after deriving them from the downfolding scheme based on first-principles calculations. Systematic dependences of the derived model…
We derive an effective d-dimensional Hamiltonian for a system of hard-core-bosons coupled to optical phonons in a lattice. At non-half-fillings, a superfluid-supersolid transition occurs at intermediate boson-phonon couplings, while at…
The effective Hamiltonian of strongly correlated electrons on a square lattice is replaced by a renormalised Hamiltonian and the factors that renormalise the kinetic energy of holes and the Heisenberg spin-spin coupling are calculated using…
The electronic structures of FeAs-compounds strongly depend on the Fe-As bonding, which can not be described successfully by the local density approximation (LDA). Treating the multi-orbital fluctuations from $ab$-$initio$ by LDA+Gutzwiller…
The Hubbard model is a "highly oversimplified model" for electrons in a solid which interact with each other through extremely short ranged repulsive (Coulomb) interaction. The Hamiltonian of the Hubbard model consists of two pieces; H_hop…
A model to describe electronic correlations in energy bands is considered. The model is a generalization of the conventional Hubbard model that allows for the fact that the wavefunction for two electrons occupying the same Wannier orbital…
We report the derivation and implementation of orbital optimization algorithms for the active space decomposition (ASD) model, which are extensions of complete active space self-consistent field (CASSCF) and its occupation-restricted…
A generic Hamiltonian, which incorporates the effect of the orbital contraction on the hopping amplitude between the nearest sites, is studied both analytically at the weak coupling limit and numerically at the intermediate and strong…
We derive an effective d-dimensional Hamiltonian for a system of hard-core-bosons coupled to optical phonons in a lattice. Away from half-filling, we show that the presence of next-nearest-neighbor hopping in the effective Hamiltonian leads…
We derive the low-energy effective action for three-dimensional superfluid Fermi systems in the strong-coupling limit, where superfluidity originates from Bose-Einstein condensation of composite bosons. Taking into account density and…
We used ab-initio quantum chemical methods, treating explicitly the strong correlation effects within the cobalt 3d shell, as well as the screening effects on the effective integrals, for accurately determining on-site and nearest-neighbor…
We start from an effective Hamiltonian for Ru ions in a square lattice, which includes the on-site interactions between t_2g orbitals derived from Coulomb repulsion, and a tetragonal crystal-field splitting. Using perturbation theory in the…
We present a novel mechanism of s-wave pairing in Fe-based superconductors. The mechanism involves holes near dxz/dyz pockets only and is applicable primarily to strongly hole doped materials. We argue that as long as the renormalized…
Method of invariants is used to obtain effective kp-Hamiltonian with position-dependent band parameters and correct boundary conditions for electron and hole envelope functions in A3B5-heterostructures with arbitrary interface orientation.…
The quantum mechanical motion of the atomic nuclei is considered over a single- or a multi-dimensional subspace of electronic states which is separated by a gap from the rest of the electronic spectrum over the relevant range of nuclear…
The repulsive Hubbard Hamiltonian is one of the foundational models describing strongly correlated electrons and is believed to capture essential aspects of high temperature superconductivity. Ultracold fermions in optical lattices allow…
The effective spin Hamiltonian is constructed in the framework of the almost half-filled Hubbard model on the Cayley tree by means of functional integral technique with the use of static approximation. The system in the ground state appears…
Starting from the conventional electron-hole Hamiltonian ${\cal H}_{eh}$, we derive an effective Hamiltonian $\tilde{\cal H}_{1s}$ for $1s$ excitons with spin degrees of freedom. The Hamiltonian describes optical processes close to the…
Nuclear halos emerge as new degrees of freedom near the neutron and proton driplines. They consist of a core and one or a few nucleons which spend most of their time in the classically-forbidden region outside the range of the interaction.…