Related papers: Multiplet Structures of Charged Fullerenes
We have calculated the total energy of the helium atom in higher excited state. The Coulomb and exchange integrals are evaluated via spherical harmonics. The interaction of the magnetic moments of the electrons between them and also with…
We provide an accurate evaluation of the two-photon exchange correction to the hyperfine splitting of S energy levels in muonic hydrogen exploiting the corresponding measurements in electronic hydrogen. The proton structure uncertainty in…
The Mott metal-insulator transition in the two-band Hubbard model in infinite dimensions is studied by using the linearized dynamical mean-field theory. The discontinuity in the chemical potential for the change from hole to electron doping…
Formulating a quasiclassical approach we determine the cross section for the complete four-body break-up of the lithium ground state following single photon absorption from threshold up to 220 eV excess energy. In addition, we develop a new…
Multiply charged actinide molecules provide a unique platform to study fundamental physics and the chemical bond under extreme conditions. Beyond the inherently large relativistic effects associated with a high proton number $Z$, an…
The coupled Bethe--Salpeter bound state equations for a $Q\bar Q$ system, where $Q=(U,D)$ is a degenerate, fourth generation, super--heavy quark doublet, are solved in several ladder approximation models. The exchanges of gluon, Higgs and…
Momentum-transfer (q) dependent non-resonant inelastic x-ray scattering measurements were made at the N4,5 edges for several rare earth compounds. With increasing q, giant dipole resonances diminish, to be replaced by strong multiplet lines…
Mn-based full Heusler compounds possess well-defined local atomic Mn moments, and thus the correlation effects between localized d electrons are expected to play an important role in determining the electronic and magnetic properties of…
Point-contact spectroscopy was performed on single crystals of the heavy-fermion superconductor CeCoIn_5 between 150 mK and 2.5 K. A pulsed measurement technique ensured minimal Joule heating over a wide voltage range. The spectra show…
We use Perturbative Continuous Unitary Transformations (PCUT) to study the one dimensional Extended Ionic Hubbard Model (EIHM) at half-filling in the band insulator region. The extended ionic Hubbard model, in addition to the usual ionic…
The ground-state properties of CuFeAs were investigated by applying density functional theory calculations within generalized gradient approximation (GGA) and GGA+U. We find that the bicollinear antiferromagnetic state with antiparallel…
Accurate simulations of a condensed system of ions or polar molecules are concerned with proper handlings of the involved electrostatics. For such a Coulomb system at a charged planar interface, the Coulomb interaction averaged over the…
The generic phase diagram of lightly hole-doped high-$T_c$-cuprates hosts antiferromagnetic insulating phase with well-defined spin-wave excitations. Contrary to the weak-coupling prediction, these modes persist up to the overdoped metallic…
We investigate ordered phases (s-wave superconducting (SC), antiferromagnetic (AF) and charge ordered (CO) phases) of the half-filled Holstein-Hubbard model using the dynamical mean-field theory in combination with a continuous time quantum…
Perturbative corrections to the mean field theory for particle-hole instabilities of interacting electron systems are computed within a scheme which is equivalent to the recently developed variational approach to the Kohn-Luttinger…
In this article, we set up a functional setting for mean-field electronic structure models of Hartree-Fock or Kohn-Sham types for disordered crystals. The electrons are quantum particles and the nuclei are classical point-like articles…
We study a system of two Coulombically interacting electrons in an external harmonic potential in the presence of an on-centre Coulomb impurity. Detailed results for the dependencies of the reduced von Neumann entropy on the control…
The multiplet structure induced by the Coulomb interactions in C$_{60}^{n-}$ ($n = 1 - 12$) is analyzed. The partially ocuppied LUMO gives rise to a set of levels which fill a relatively wide band ( $\approx 2-3$ eV ). A large ($\sim 1$ eV)…
We calculate electron-hole generation and recombination rates for Coulomb scattering (Auger recombination and impact ionization) in Graphene. The conduction and valence band dispersion relation in Graphene together with energy and momentum…
We address the role played by charged defects in doped Mott insulators with active orbital degrees of freedom. It is observed that defects feature a rather complex and rich physics, which is well captured by a degenerate Hubbard model…