Related papers: A consistent description of the iron dimer spectru…
A solid-state system combining a stable spin degree of freedom with an efficient optical interface is highly desirable as an element for integrated quantum optical and quantum information systems. We demonstrate a bright color center in…
We discuss the transition strength between the disordered ground state and the basic low-lying triplet excitation for interacting dimer materials by presenting theoretical calculations and series expansions as well as inelastic neutron…
Geminal wavefunctions have been employed to model strongly-correlated electrons. These wavefunctions represent products of weakly-correlated pairs of electrons and reasonable approximations are computable with polynomial cost. In…
The binding energies of argon dimer are calculated by solving the homogeneous Lippmann-Schwinger integral equation in momentum space. Our numerical analysis using two models of argon-argon interaction developed by Patkowski {\it et al.}…
The Dirac equation, in the field of a traveling circularly polarized electromagnetic wave and a constant magnetic field, has singular solutions, corresponding the expansion of energy in vicinity of some singular point. These solutions…
We have carried out a density functional study of unoccupied, resonance states in a single Au atom, dimers, a trimer and infinite Au chains on the NiAl(110) surface. Two inequivalent orientations of the ad-chains with substantially…
We compute the energy spectrum of the ground state of a 2D Dirac electron in the presence of a Coulomb potential and a constant magnetic field perpendicular to the plane where the the electron is confined. With the help of a mixed-basis…
A simple quantum mechanical model consisting of a discrete level resonantly coupled to a continuum of finite width, where the coupling can be varied from perturbative to strong (Fano-Anderson model), is considered. The particle is initially…
Motivated by the controversy between quantum chemists and solid-state physicists, and by recent experimental results, spin-polarized density-functional (DFT) calculations are used to probe electron correlation in the Si(100) reconstructed…
The "standard" theory of a normal metal consists of an effective electron band which interacts with phonons and impurities. The effects due to the electron-phonon interaction are often delineated within the Migdal approximation; the…
For a dimer with a non-degenerate orbital built from atomic wave functions of Gaussian shape we evaluate all the electron-phonon couplings derived from the one-body and two-body electronic interactions, considering both the adiabatic and…
We investigate the FMR characteristics of a magnetic dimer composed of two chains of iron nanoparticles coupled by dipolar interactions. The latter are treated beyond the point-dipole approximation taking into account the finite size and…
We present the experimental reconstruction of the Wigner function of an individual electronic spin qubit associated with a nitrogen-vacancy (NV) center in diamond at room temperature. This spherical Wigner function contains the same…
The current work presents a natural orbital functional (NOF) for electronic systems with any spin value independent of the external potential being considered, that is, a global NOF (GNOF). It is based on a new two-index reconstruction of…
We propose a new model for the nature of the low temperature phase of a geometrically frustrated antiferromgnet (AFM) with a Kagome lattice, SrCr$_{8-x}$Ga$_{4+x}$O$_{19}$. We propose that the long-range dipolar interaction between the…
We report spin wave and DMRG studies of the ground and low-lying excited states of uniform and dimerized alternating spin chains. The DMRG procedure is also employed to obtain low-temperature thermodynamic properties of the system. The…
The electronic structure of Ce2 is studied in a valence bond model with two 4f electrons localized at two cerium sites. It is shown that the low-lying energy spectrum of the simplest cerium chemical bond is determined by peculiarities of…
The treatment of atomic anions with Kohn-Sham density functional theory (DFT) has long been controversial since the highest occupied molecular orbital (HOMO) energy, $E_{HOMO}$, is often calculated to be positive with most approximate…
The magnetic coupling between single Co atoms adsorbed on a copper surface is determined by probing the Kondo resonance using low-temperature scanning tunneling spectroscopy. The Kondo resonance, which is due to magnetic correlation effects…
The mean-field triplon analysis is developed for spin-S quantum antiferromagnets with dimerized ground states. For the spin-1/2 case, it reduces to the well known bond-operator mean-field theory. It is applied to a coupled-dimer model on…