Related papers: Ab initio effective Hamiltonians for cuprate super…
In a partially filled flat Bloch band electrons do not have a well defined Fermi surface and hence the low-energy theory is not a Fermi liquid. Neverethless, under the influence of an attractive interaction, a superconductor well described…
By utilizing a multi-orbital periodic Anderson model with parameters obtained from \textit{ab initio} band structure calculations, combined with degenerate perturbation theory, we derive effective Kondo-Heisenberg and spin Hamiltonians that…
Using an $sp^{3}s^{*}$ tight-binding model we demonstrate how the observed strong bowing of the band gap and spin-orbit-splitting with increasing Bi composition in the dilute bismide alloy GaBi$_{x}$As$_{1-x}$ can be described in terms of a…
In recent years, low-dimensional materials with tetragonal $P4/nmm$ (orthorhombic $Pnma$) space group having square-net (chain-like) substructure of $p$-block elements have been studied extensively. By using a first-principles calculation…
The nature of the effective interaction responsible for pairing in the high-temperature superconducting cuprates remains unsettled. This question has been studied extensively using the simplified single-band Hubbard model, which does not…
We describe how to create ab-initio effective Hamiltonians that qualitatively describe correct chemistry even when used with a minimal basis. The Hamiltonians are obtained by folding correlation down from a large parent basis into a small,…
An essential ingredient in many model Hamiltonians, such as the Hubbard model, is the effective electron-electron interaction $U$, which enters as matrix elements in some localized basis. These matrix elements provide the necessary…
The effect of the the $c$ axis compression on the electronic structure and superconducting properties of the HTSC cuprate La$_{2-x}$Sr$_x$CuO$_4$ at different doping is investigated. The electronic structure of quasiparticle excitations is…
Motivated by the recent discovery of superconductivity in the iron-based ladder compound BaFe$_2$S$_3$ under high pressure, we derive low-energy effective Hamiltonians from first principles. We show that the complex band structure around…
We develop an effective theory for heavy baryons and their excited states. The approach is based on the contracted O(8) symmetry recently shown to emerge from QCD for these states in the combined large N_c and heavy quark limits. The…
The dynamics of classical and quantum systems which are driven by a high frequency ($\omega$) field is investigated. For classical systems the motion is separated into a slow part and a fast part. The motion for the slow part is computed…
We study the low-lying energy clustering patterns of quantum antiferromagnets with p sublattices (in particular p=4). We treat each sublattice as a large spin, and using second-order degenerate perturbation theory, we derive the effective…
A new scheme of first-principles computation for strongly correlated electron systems is proposed. This scheme starts from the local-density approximation (LDA) at high-energy band structure, while the low-energy effective Hamiltonian is…
In this paper, we consider some second-order effective Hamiltonians describing the interaction of the quantum electromagnetic field with atoms or molecules in the nonrelativistic limit. Our procedure is valid only for off-energy-shell…
We introduce a new renormalisation scheme to construct the Landau quasiparticles of Fermi fluids. The scheme relies on an energy cutoff $\Lambda$ which removes the quasi-resonant couplings, enabling the dressing of the particles into…
To understand the interplay of d-wave superconductivity and antiferromagnetism, we consider a two-dimensional extended Hubbard model with nearest neighbor attractive interaction. The Hamiltonian is solved in the mean-field approximation on…
A unitary transformation is applied to the Hubbard model, which maps the Hubbard interaction to a single particle term. The resulting Hamiltonian consists of unconstrained fermions, which is then mapped to a Hamiltonian of spinless fermions…
Theoretical ideas and experimental results concerning high temperature superconductors are reviewed. Special emphasis is given to calculations carried out with the help of computers applied to models of strongly correlated electrons…
A constituent parton picture of hadrons with logarithmic confinement naturally arises in weak coupling light-front QCD. Confinement provides a mass gap that allows the constituent picture to emerge. The effective renormalized Hamiltonian is…
We propose a systematic procedure for constructing effective lattice fermion models for narrow-band compounds on the basis of first-principles electronic structure calculations. The method is illustrated for the series of transition-metal…