Related papers: Analytic Expressions for Most $f^n$ Valence Multip…
We present the application of the variational-wavelet analysis to the analysis of quantum ensembles in Wigner framework. (Naive) deformation quantization, the multiresolution representations and the variational approach are the key points.…
Quantum computing architectures require an accurate and efficient description in terms of many-electron states. Recent implementations include quantum dot arrays, where the ground state of a multi q-bit system can be altered by voltages…
X-ray absorption spectroscopy at the L-edge probes transitions of 2p-electrons into unoccupied d-states. Applied to transition metal atoms, this experimental technique can provide valuable information about the electronic structure of…
We perform accurate calculations of the dependence of transition frequencies in two valence electron atoms and ions on a variation of the fine structure constant, alpha. The relativistic Hartree-Fock method is used with many-body…
A central issue in material science is to obtain understanding of the electronic correlations that control complex materials. Such electronic correlations frequently arise due to the competition of localized and itinerant electronic degrees…
Multi-principal element alloys open large composition spaces for alloy development. The large compositional space necessitates rapid synthesis and characterization to identify promising materials, as well as predictive strategies for alloy…
Variational analysis techniques in lattice QCD are powerful tools that give access to the excited state spectrum of QCD. At zero momentum, these techniques are well established and can cleanly isolate energy eigenstates of either positive…
Diamond is a solid-state platform to develop quantum technologies, but it has been a long-standing problem that the current understanding of quantum states in diamond is mostly limited to single-electron pictures. Here, we combine the full…
Valence instability is a key ingredient of the unusual properties of f electron materials, yet a clear understanding is lacking as it involves a complex interplay between f electrons and conduc- tion states. Here we propose a unified…
We demonstrate that a theoretical framework fully incorporating intra-atomic correlations and multiplet structure of the localized 4f states is required in order to capture the essential physics of rare-earth semiconductors and semimetals.…
Homogeneous electron and nuclear gases are transformed to a localized trial density in absolute coordinates of the multi-component hamiltonian to determine the stability of forming bound states. Regions of stability were found both at the…
The opportunities of the application of the recently proposed approach in optical emission spectroscopy of non-equilibrium plasmas have been studied. The approach consists of several methods of the determination of {\em absolute} particle…
SIMNRA is widely adopted by the scientific community of ion beam analysis for interpretation of nuclear scattering analysis. Taking advantage of its recognized reliability and quality of the simulations, we developed a computer program that…
In this work, the transition matrix elements for inelastic electron--electron scattering are investigated. The angular part is given by spherical harmonics. For the weighted radial wave function overlap, analytic expressions are derived in…
A systematic description of multipole degrees of freedom is discussed on the basis of the Stevens' operator-equivalent technique. The generalized Stevens' multiplicative factors are derived for all of the electric and the magnetic…
In a previous work [L.Delle Site, J.Phys.A 40, 2787 (2007)] the derivation of an analytic expression for the kinetic functional of a many-body electron system has been proposed. Though analytical, the formula is still non local…
Transient absorption and Raman scattering measurements on noble metal nanoparticles offer complimentary information on their vibrational modes and mechanical interactions with their surroundings. We have developed a comprehensive modeling…
Electron-hole systems on a Haldane sphere are studied by exact numerical diagonalization. Low lying states contain one or more types of bound charged excitonic complexes Xk-, interacting through appropriate pseudopotentials. Incompressible…
Graphene and its multilayers have attracted considerable interest owing to the fourfold spin and valley degeneracy of their charge carriers, which enables the formation of a rich variety of broken-symmetry states and raises the prospect of…
The multiresolution analysis of Alpert is considered. Explicit formulas for the entries in the matrix coefficients of the refinement equation are given in terms of hypergeometric functions. These entries are shown to solve generalized…