Related papers: Correlation Trends in the Hyperfine Structures of …
We study the core hole-electron correlation in coherently coupled molecules by energy dispersive near edge X-ray absorption fine-structure spectroscopy. In a transient phase, which exists during the transition between two bulk arrangements,…
The magnetic-dipole transition probabilities between the fine-structure levels (1s^2 2s^2 2p) ^2P_1/2 - ^2P_3/2 for B-like ions and (1s^2 2s 2p) ^3P_1 - ^3P_2 for Be-like ions are calculated. The configuration-interaction method in the…
Rare-earth trihydrides ($R$H$_3$) exhibit intriguing coupled electronic and structural properties as a function of doping, hydrogen vacancies, and thermodynamic conditions. Theoretical studies of these materials typically rely on density…
Delafossites represent natural heterostructures which can host rather different electronic characteristics in their constituting layers. The design of novel heterostructure architectures highlighting the competition between such varying…
Recent improvements in experimental techniques for preparing ultracold molecules that contain alkali atoms (e.g., Li, Na, and K) have been reported. Based on these advances in ultracold molecules, new searches for the electric dipole moment…
We investigate single-particle energy spectra of the hydroxyl free radical (OH) in the lowest electronic and rovibrational level under combined static electric and magnetic fields, as an example of heteronuclear polar diatomic molecules. In…
We discuss physical properties of strongly correlated electron states for a linear chain obtained with the help of the recently proposed new method combining the exact diagonalization in the Fock space with an ab initio readjustment of the…
We study electron correlations in the half-filled Hubbard model on two-dimensional Penrose lattice. Applying the real-space dynamical mean-field theory to large clusters, we discuss how low-temperature properties are affected by the…
Parity- and time-reversal-symmetry violating interaction constants required for the interpretation of a recent measurement (arXiv:1704.07928 [physics.atom-ph]) of corresponding symmetry violations in the $\Omega=1$ (${^3\Delta}_1$) science…
Multi-configurational approaches yield universal wave function parameterizations that can qualitatively well describe electronic structures along reaction pathways. For quantitative results, multi-reference perturbation theory is required…
Longstanding problems in the comparison of very accurate hyperfine-shift measurements to theory were partly overcome by precise measurements on few-electron highly-charged ions. Still the agreement between theory and experiment is…
The hyperfine interactions at the uranium site in the antiferromagnetic USb2 compound were calculated within the density functional theory (DFT) employing augmented plane wave plus local orbital (APW+lo) method. We investigated the…
The interplay between magnetic and superconducting states on a square lattice is studied using the extended Hubbard model, which takes into account the attraction of electrons located at nearest neighbor sites. Ferro-, antiferro-, and…
We have elucidated the nature of the electron correlation effect in uranium compounds by imaging the partial $\mathrm{U}~5f$ density of states (pDOS) of typical itinerant, localized, and heavy fermion uranium compounds by using the…
We shed light on the interplay between structure and many-body effects relevant for itinerant ferromagnetism in LaAlO$_3$/SrTiO$_3$ heterostructures. The realistic correlated electronic structure is studied by means of the (spin-polarized)…
The influence of the interaction between electrons on the Aharonov-Bohm effect is investigated in the framework of the Hubbard model. The repulsion between electrons associated with strong correlation is compared with the case of attraction…
We have calculated static and dynamic electric dipole (E1) polarizabilities ($\alpha_F$) of the hyperfine levels of the clock transition precisely in $^{133}$Cs. The scalar, vector, and tensor components of $\alpha_F$ are estimated by…
Spherically-symmetric ground states of alkali-metal atoms do not posses electric quadrupole moments. However, the hyperfine interaction between nuclear moments and atomic electrons distorts the spherical symmetry of electronic clouds and…
Resonant soft x-ray Bragg diffraction at the Dy M4,5 edges has been exploited to study Dy multipole motifs in DyB2C2. Our results are explained introducing the intra-atomic quadrupolar interaction between the core 3d and valence 4f shell.…
We calculate the electronic states of Al$_x$Ga$_{1-x}$As/GaAs/Al$_x$Ga$_{1-x}$As double heterojunctions subjected to a magnetic field parallel to the quasi two-dimensional electron gas. We study the energy dispersion curves, the density of…