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We calculate the A and B hyperfine constants for the low-lying states of 229Th3+ using a high-precision relativistic all-order approach. By combining these calculations with measurements of the 6d and 5f hyperfine constants [C. J. Campbell…
We present a precise measurement of double-polarization asymmetries in the $^3\vec{\mathrm{He}}(\vec{\mathrm{e}},\mathrm{e}'\mathrm{d})$ reaction. This particular process is a uniquely sensitive probe of hadron dynamics in $^3\mathrm{He}$…
The Cryo-EM 3D particle reconstruction is essential for identifying protein and uncover the biological mechanism of the macro-molecules. In this paper, we use Kam method for reconstruction. Kam method is \textit{ab-initio}, and it assumes…
In electrochemical systems, the structure of electrical double layers (EDLs) near electrode surfaces is crucial for energy conversion and storage functions. While the electrodes in real-world systems are usually heterogeneous, to date the…
The observation of electric dipole moments (EDMs) in atomic systems due to parity and time-reversal violating (P,T-odd) interactions can probe new physics beyond the standard model and also provide insights into the matter-antimatter…
The calculation of electron density distribution using density functional theory (DFT) in materials and molecules is central to the study of their quantum and macro-scale properties, yet accurate and efficient calculation remains a…
The electronic structure of quasi-one-dimensional superconductor K$_2$Cr$_3$As$_3$ is studied through systematic first-principles calculations. The ground state of K$_2$Cr$_3$As$_3$ is paramagnetic but very close to a ferromagnetic…
We set up the framework for the calculation of electric dipole moments (EDMs) of light nuclei using the systematic expansion provided by chiral effective field theory (EFT). We take into account parity (P) and time-reversal (T) violation…
Understanding how quarks are spatially arranged inside exotic pentaquarks remains one of the key open problems in contemporary hadron spectroscopy. The electromagnetic multipole moments of hadrons provide a direct probe of their internal…
We carry out quantum inelastic scattering calculations of collisions of Rb atoms with inverting NH3 and ND3 molecules in the energy range between 0 and 100 cm-1, which are important for experiments using velocity-controlled molecular beams…
Molecules containing superheavy atoms can be artificially created to serve as sensitive probes for study of symmetry-violating phenomena. Here, we provide a detailed theoretical study for diatomic molecules containing the superheavy…
In recent years, an abundance of new molecular structures have been elucidated using cryo-electron microscopy (cryo-EM), largely due to advances in hardware technology and data processing techniques. Owing to these new exciting…
We examine the potential-energy curves and polarization of the dipole moments of two static polar molecules under the influence of an external dc electric field and their anisotropic dipole-dipole interaction. We model the molecules as…
We study the electronic band structure and optical response of a hybrid model, a $\alpha-\mathcal{T}_3$ model featuring a $\sqrt{3}\times\sqrt{3}$ Kekul\'e pattern modulation. Such a hybrid system may result from the depositing of adatoms…
The electric dipole moments (EDMs) of heavy nuclei, such as 199Hg, 225Ra and 211Rn, can be enhanced by the Schiff moments induced by the presence of nearby parity-doublet states. Working within the framework of the maximally CP-violating…
The electric dipole moment (EDM) of a particle violates both time reversal (T) and space reflection (P) symmetries. There have been recent suggestions for searches of the electron EDM using solid state experiments [1,2]. These experiments…
The TaO$^+$ molecular ion is proposed as a candidate system for detecting signatures of charge parity (${\cal{CP}}$) violating physics beyond the standard model of elementary particles. The electron electric dipole moment (EDM) effective…
In order to realize more sensitive eEDM measurement, it would be worthwhile to find some new laser-cooled molecules with larger internal effective electric field (E$_{eff}$), higher electric polarizability and longer lifetime of the eEDM…
We theoretically study slow collisions of NH$_3$ molecules with He atoms, where we focus in particular on the observation of scattering resonances. We calculate state-to-state integral and differential cross sections for collision energies…
Core-level spectra of 1s electrons of elements heavier than Ne show significant relativistic effects. We combine advances in orbital optimized DFT (OO-DFT) with the spin-free exact two-component (X2C) model for scalar relativistic effects,…