Related papers: Hyperfine structure and $K$-doubling in RaOCH$_3$ …
We present numerical experiments for geophysics electromagnetic (EM) modeling based upon high-order edge elements and supervised $h+p$ refinement approaches on massively parallel computers. Our high-order $h+p$ refinement strategy is based…
This study investigates the intrinsic electric dipole moment (EDM) of the $\tau$ lepton, which is an important quantity in the search for physics beyond the Standard Model (BSM). In preparation for future measurements at the Super Tau-Charm…
We propose a computationally lean, two-stage approach that reliably predicts self-assembly behavior of complex charged molecules on a metallic surfaces under electrochemical conditions. Stage one uses ab initio simulations to provide…
Magnetic materials with kagome crystal structure exhibit rich physics such as frustrated magnetism, skyrmion formation, topological flat bands, and Dirac/Weyl points. Until recently, most studies on kagome magnets have been performed on…
Electrochemical quartz crystal microbalance (EC-QCM) is a versatile gravimetric technique that allows for parallel characterization of mass deposition and electrochemical properties. Despite its broad applicability, simultaneous…
We report on the creation and characterization of heteronuclear KRb Feshbach molecules in an optical dipole trap. Starting from an ultracold gas mixture of K-40 and Rb-87 atoms, we create as many as 25,000 molecules at 300 nK by rf…
YbOH molecule is one of the most sensitive systems for the electron electric dipole moment ($e$EDM) searches. Zeeman splittings of the $e$EDM sensitive levels have significant implications to control and suppress important systematic…
Rearrangement of atoms due to broken translational symmetries at the surface of SrTiO$_3$ is scarcely debatable in the present day scenario. Actual concern demands to unveil the true structure and precise mechanism responsible for atomic…
Cryo-electron microscopy (cryo-EM) is an emerging experimental method to characterize the structure of large biomolecular assemblies. Single particle cryo-EM records 2D images (so-called micrographs) of projections of the three-dimensional…
Linear response approach to the relativistic coupled-cluster (RCC) theory has been extended to estimate contributions from the parity and time-reversal violating pseudoscalar-scalar (Ps-S) and scalar-pseudoscalar (S-Ps) electron-nucleus…
The multiconfiguration Dirac-Hartree-Fock (MCDHF) method was employed to calculate atomic electric dipole moments (EDM) of the superheavy element copernicium (Cn, $Z=112$). The EDM enhancement factors of Cn, here calculated for the first…
We present a general theoretical treatment and calculations of the fine and hyperfine structures in the spectra of high-$n$ molecular Rydberg states in static uniform electric fields. The treatment combines (i) multichannel quantum-defect…
The hyperfine splitting of the ground and low-energy $3/2^+(7.8 \pm 0.5$ eV) levels in the $^{229}$Th nucleus in muonic atom ($\mu^-_{1S_{1/2}}{}^{229}$Th$)^*$ has been calculated considering the distribution of the nuclear magnetization in…
Single-particle electron cryomicroscopy (cryo-EM) is an increasingly popular technique for elucidating the three-dimensional structure of proteins and other biologically significant complexes at near-atomic resolution. It is an imaging…
We investigated the effects of temperature and magnetic field on the electronic structure of hexagonal RMnO3 (R = Gd, Tb, Dy, and Ho) thin films using optical spectroscopy. As the magnetic ordering of the system was disturbed, a systematic…
A measurement of the magnitude of the electric dipole moment of the electron (eEDM) larger than that predicted by the Standard Model (SM) of particle physics is expected to have a huge impact on the search for physics beyond the SM. Polar…
Ultracold molecules with both electron spin and an electric dipole moment offer new possibilities in quantum science. We use density-functional theory to calculate hyperfine coupling constants for a selection of molecules important in this…
Single-particle cryo-electron microscopy (cryo-EM) reconstructs the three-dimensional (3D) structure of bio-molecules from a large set of 2D projection images with random and unknown orientations. A crucial step in the single-particle…
A large-scale relativistic configuration-interaction (CI) calculation is performed for the magnetic-dipole and the electric-quadrupole hyperfine structure splitting in ^{7,6}Li and ^9Be^+. Numerical results for the 2^2S, 3^2S, 2^2P_{1/2},…
Ultracold polyatomic molecules are promising candidates for experiments in quantum science, quantum sensing, ultracold chemistry, and precision measurements of physics beyond the Standard Model. A key, yet unrealized, requirement of these…