Related papers: Multiplet Structures of Charged Fullerenes
Accurate QED evaluations of the one- and two-photon interelectron interaction for low lying two- and three-electron configurations for ions with nuclear charge numbers $60\le Z \le 93$ are performed. The three-photon interaction is also…
Multiplicity fluctuations in the forward hemisphere were studied for positively, negatively and all charged hadrons produced in central Pb+Pb collisions at 20A, 30A, 40A, 80A and 158A GeV. The multiplicity distributions and their scaled…
The electronic structure of the molecular compound (TTM-TTP)I_3, which exhibits a peculiar intra-molecular charge ordering, has been studied using multi-configuration ab initio calculations. First we derive an effective Hubbard-type model…
The data on transverse momentum integrated hadron yields in different multiplicity classes of p+p collisions at $\sqrt{s}=7$ TeV have been analyzed to extract the chemical freeze-out parameters using a thermal model. The chemical freeze-out…
We develop a correlated-electron minimal model for the normal state of charged phenanthrene ions in the solid state, within the reduced space of the two lowest antibonding molecular orbitals of phenanthrene. Our model is general and can be…
We present an experimental study of electron-electron exchange interaction in self-assembled CdTe/ZnTe quantum dots based on the photoluminescence measurements. The character and strength of this interaction are obtained by simultaneous…
We have developed a theoretical method to study scattering processes of an incident electron through an N-electron quantum dot (QD) embedded in a two-dimensional (2D) semiconductor. The generalized Lippmann-Schwinger equations including the…
Motivated by recent experimental progress on iron-based ladder compounds, we study the doped two-orbital Hubbard model for the two-leg ladder BaFe$_2$S$_3$. The model is constructed by using {\it ab initio} hopping parameters and the ground…
Nanographene triangulenes with a S = 1 ground state have been used as building blocks of antiferromagnetic Haldane spin chains realizing a symmetry protected topological phase. By means of inelastic electron spectroscopy, it was found that…
We study the quantum many-body instabilities of interacting electrons with SU(2)$\times$SU(2) symmetry in spin and orbital degrees of freedom on the triangular lattice near van-Hove filling. Our work is motivated by effective models for the…
Molecules that have been suggested to violate the Hund's rule, having a first excited singlet state (S$_1$) energetically below the triplet state (T$_1$), are rare. Yet, they hold the promise to be efficient light emitters. Their…
We present calculations of the total and m-fold electron-loss cross sections using the DEPOSIT code for highly charged U(q+) ions (q=10,31,33) colliding with Ne and Ar targets at projectile energies E=1.4 and 3.5 MeV/u. Typical examples of…
The elastic scattering cross sections for a slow electron by C2 and H2 molecules have been calculated within the framework of the non-overlapping atomic potential model. For the amplitudes of the multiple electron scattering by a target the…
By the example of the Hubbard model we analytically and numerically examine the formating and coexisting of localized electron--electron pairs (doublons) and localized electron--hole pairs (Frenkel--type excitons) . Here we demonstrate that…
We study the interplay of crystal field splitting and Hund coupling in a two-orbital model which captures the essential physics of systems with two electrons or holes in the e_g shell. We use single site dynamical mean field theory with a…
In insulating lanthanides, unquenched orbital momentum and weak crystal-field (CF) splitting of the atomic $J$ multiplet at lanthanide ions result in a highly ranked (multipolar) exchange interaction between them and a complex…
We calculate, via spin density functional theory (SDFT) and exact diagonalization, the eigenstates for electrons in a variety of external potentials, including double and triple dots. The SDFT calculations employ realistic wafer profiles…
Multiple spin density waves and related vortex-type magnetic structures in the itinerant electron system with inversion symmetry have been investigated on the basis of the Hubbard model and the generalized Hartree-Fock approximation…
Accurate representation of the molecular electrostatic potential, which is often expanded in distributed multipole moments, is crucial for an efficient evaluation of intermolecular interactions. Here we introduce a machine learning model…
We calculate the exchange coupling J between electrons in a double-well potential in a two-dimensional semiconductor environment within the Heitler-London (HL) approach. Two functional forms are considered for the double-well potential. We…