Related papers: Modeling the actinides with disordered local momen…
Disordered elemental semiconductors, most notably a-C and a-Si, are ubiquitous in a myriad of different applications. These exploit their unique mechanical and electronic properties. In the past couple of decades, density functional theory…
Continuous One-dimensional models supporting extended states are studied. These delocalized statesoccur at well defined values of the energy and are consequences of simple statistical correlation rules. We explicitly study alloys of…
Using analytic and numerical methods, we study a $2d$ Hamiltonian model of interacting particles carrying ferro-magnetically coupled continuous spins which are also locally coupled to their own velocities. This model has been characterised…
The Dead Leaves Model (DLM) provides a random tessellation of $d$-space, representing the visible portions of fallen leaves on the ground when $d=2$. For $d=1$, we establish formulae for the intensity, two-point correlations, and asymptotic…
The magnetic phases induced by the interplay between disorder acting only on particles with a given spin projection ("spin-dependent disorder") and a local repulsive interaction is explored. To this end the magnetic ground state phase…
A general reformulation of the exchange energy of $5f$-shell is applied in the analysis of the magnetic structure of various actinides compounds in the framework of LDA+U method. The calculations are performed in an efficient scheme with…
We study the magnetism in the periodic Anderson model in the limit of large dimensions by mapping the lattice problem into an equivalent local impurity self-consistent model. Through a recently introduced algorithm based on the exact…
It has been proposed that the states of fully many-body localized systems can be described in terms of conserved local pseudospins. Due to the multitude of ways to define these, the explicit identification of the optimally local pseudospins…
A class of nonlinear models combining a pharmacokinetic compartmental model and a pharmacodynamic Emax model is introduced. The locally D-optimal (LD) design for a four-parameter composed model is found to be a saturated four-point uniform…
A unified model of molecular and atomistic spin dynamics is presented enabling simulations both in microcanonical and canonical ensembles without the necessity of additional phenomenological spin damping. Transfer of energy and angular…
We present a scalable machine learning (ML) model to predict local electronic properties such as on-site electron number and double occupation for disordered correlated electron systems. Our approach is based on the locality principle, or…
Combining the self-consistent theory of localization and the dynamical mean-field theory, we present a theoretical approach capable of describing both self-trapping of charge carriers during the process of polaron formation and…
We examine the stability of magnetic order in a classical Heisenberg model with quenched random exchange couplings. This system represents the spin degrees of freedom in high-$T_\textrm{c}$ compounds with immobile dopants. Starting from a…
Attempts to go beyond the local density approximation (LDA) of Density Functional Theory (DFT) have been increasingly based on the incorporation of more realistic Coulomb interactions. In their earliest implementations, methods like…
An accurate analytical parametrization for the exchange-correlation free energy of the homogeneous electron gas, including interpolation for partial spin-polarization, is derived via thermodynamic analysis of recent restricted path integral…
Localization and delocalization of quantum diffusion in time-continuous one-dimensional Anderson model perturbed by the quasi-periodic harmonic oscillations of $M$ colors is investigated systematically, which has been partly reported by the…
We investigate the existence of several (anti-)ferromagnetic phases in the diluted ferromagnetic Kondo-lattice model, i.e. ferromagnetic coupling of local moment and electron spin. To do this we use a coherent potential approximation (CPA)…
The selfconsistent approach to the 2D Ising Model with quenched random bonds is extended to the full lattice theory of four real fermions. The additional degrees of freedom, neglected in the renormalization-group theory, lead to a new phase…
We theoretically study the Anderson localization of a matter wave packet in a one-dimensional disordered potential. We develop an analytical model which includes the initial phase-space density of the matter wave and the spectral broadening…
The free energy and local height probabilities of the dilute A models with broken $\Integer_2$ symmetry are calculated analytically using inversion and corner transfer matrix methods. These models possess four critical branches. The first…