Related papers: First-principles method justifying the Dieke diagr…
Using the recently developed method we calculate the crystal field parameters in yttrium and lutetium aluminum garnets doped with seven trivalent Kramers rare-earth ions. We then insert calculated parameters into the atomic-like Hamiltonian…
Computational crystal-field models have provided consistent models of both electronic and Zeeman-hyperfine structure for several rare earth ions. These techniques have not yet been applied to the Zeeman-hyperfine structure of Eu$^{3+}$…
Computationally efficient and accurate quantum mechanical approximations to solve the many-electron Schr\"odinger equation are at the heart of computational materials science. In that respect the coupled cluster hierarchy of methods plays a…
We discuss $QCD$ in the Hamiltonian frame work. We treat finite density $QCD$ in the strong coupling regime. We present a parton-model inspired regularisation scheme to treat the spectrum ($\theta$-angles) and distribution functions in…
We develop a novel approach to the Wilsonian renormalisation of Hamiltonians for 2-dimensional quantum field theories on the cylinder described in the UV by marginally relevant deformations of conformal field theories. To introduce a…
Ab initio determination of model Hamiltonian parameters for strongly correlated materials is a key issue in applying many-particle theoretical tools to real narrow-band materials. We propose a self-contained calculation scheme to construct,…
The general method for treating non-Gaussian wave functionals in the Hamiltonian formulation of a quantum field theory, which was previously developed and applied to Yang--Mills theory in Coulomb gauge, is generalized to full QCD. The…
We present a crystal field theory of transition metal impurities in semiconductors in a trigonally distorted tetrahedral coordination. We develop a perturbative scheme to treat covalency effects within the weak ligand field case (Coulomb…
We present a mean-field calculation of the phase diagram of a simple model of localized moments, in the hexagonal uranium heavy-fermion compounds. The model considers a non-Kramers quadrupolar doublet ground state magnetically coupled with…
Motivated by the experiments on the rare-earth double perovskites, we propose a generalized Kitaev-Heisenberg model to describe the generic interaction between the spin-orbit-entangled Kramers' doublets of the rare-earth moments. We carry…
A number of methods are discussed which may serve for a treatment of electron correlations in solids. When the electron correlations are relatively weak like in semiconductors or a number of ionic crystals one may start from a…
We study magnetism in simple models for rare earth quasicrystals by means of a two-step theoretical approach. First, we compute RKKY interactions from a tight-binding Hamiltonian defined on a two-dimensional quasiperiodic tiling. Second, we…
A recent development in finite temperature field theory, the so-called Braaten-Pisarski method, and its application to properties of a quark-gluon plasma, possibly formed in relativistic heavy ion collisions, are reviewed. In particular…
Inelastic neutron scattering was employed to study the crystal-field interaction in the strontium-doped rare-earth compounds R(x)Sr(1-x)CoO(3-z) (R=Pr, Nd, Ho, and Er). Particular emphasis is laid on the effect of oxygen deficiencies which…
We present a domain decomposition formulation based on hybridization which is inspired by hybridized discontinuous Galerkin (HDG) methods, that enhance mixed domain decomposition methods by incorporating stabilization terms. Unlike…
Wigner molecules formed at high magnetic fields in circular and elliptic quantum dots are studied by exact diagonalization (ED) and unrestricted Hartree-Fock (UHF) methods with multicenter basis of displaced lowest Landau level wave…
We derive an effective dimensionally reduced theory for the Standard Model augmented by a real singlet scalar. We treat the singlet as a superheavy field and integrate it out, leaving an effective theory involving only the Higgs and…
A method to calculate the crystal field parameters {\it ab initio} is proposed and applied to trivalent rare earth impurities in yttrium aluminate and to Tb$^{3+}$ ion in TbAlO$_3$. To determine crystal field parameters local Hamiltonian…
Fifteen parameters characterizing the crystal field of rare-earth ions in the RMO$_3$ perovskites (R = Pr, Nd, M = Ga, Co) are calculated by expanding the local Hamiltonian expressed in the basis of Wannier functions into a series of…
The quark behaviour in the background of intensive stochastic gluon field is studied. An approximate procedure for calculating the effective Hamiltonian is developed and the corresponding ground state within the Hartree-Fock-Bogolyubov…