Related papers: Diatomic-py: A python module for calculating the r…
Within the nuclear DFT framework, employing the Skyrme UNEDF1 functional and incorporating pairing correlations, we determined the spectroscopic electric quadrupole and magnetic dipole moments of the $\nu11/2^{-}$ and $\pi7/2^{+}$…
Duo is a general, user-friendly program for computing rotational, rovibrational and rovibronic spectra of diatomic molecules. Duo solves the Schr\"{o}dinger equation for the motion of the nuclei not only for the simple case of uncoupled,…
Ultracold LiCs molecules in the absolute ground state X$^1\Sigma^+$, v"=0, J"=0 are formed via a single photo-association step starting from laser-cooled atoms. The selective production of v"=0, J"=2 molecules with a 50-fold higher rate is…
The lower moments of the unpolarized and polarized deep-inelastic structure functions of the nucleon are calculated on the lattice. The calculation is done with Wilson fermions and for three values of the hopping parameter $\kappa$, so that…
Electric dipole moments of diamagnetic atoms of experimental interest are calculated using the relativistic Hartree-Fock and random-phase approximation methods, the many-body perturbation theory and configuration interaction technique. We…
We present here the MsSpec Dielectric Function module (MsSpec-DFM), which generates dielectric functions in an electron gas or a liquid, either isolated or embedded into an environment. In addition to standard models such as the plasmon…
We present a novel energy-based localization procedure able to localize molecular orbitals into specific spatial regions. The method is applied to several cases including both conjugated and non-conjugated systems. The obtained localized…
Using a counting scheme which treats pseudoscalar and vector mesons on equal footing, the decays of the narrow light vector mesons omega and phi into a dilepton and a pseudoscalar pi-meson or eta-meson, respectively, are calculated.…
We revisited the electronic structure parameters used to interpret the hyperfine structure of neutral polonium. We used a computational scheme that treats relativistic and high-order electronic correlation effects within the coupled cluster…
The obtention of ultracold samples of dipolar molecules is a current challenge which requires an accurate knowledge of their electronic properties to guide the ongoing experiments. In this paper, we systematically investigate the ground…
Single molecule rotational correlation functions are analyzed for several reorientation geometries. Even for the simplest model of isotropic rotational diffusion our findings predict non-exponential correlation functions to be observed by…
PyCharge is a computational electrodynamics Python simulator that can calculate the electromagnetic fields and potentials generated by moving point charges and can self-consistently simulate dipoles modeled as Lorentz oscillators. To…
Molecular hydrogen ions are of metrological relevance due to the possibility of precise theoretical evaluation of their spectrum and of external-field-induced shifts. In homonuclear molecular ions the electric dipole $E1$ transitions are…
The synergy between high-resolution rotational spectroscopy and quantum-chemical calculations is essential for exploring future detection of molecules, especially when spectroscopy parameters are not available yet. By using highly…
We trap atoms in versatile two-dimensional (2D) arrays of optical potentials, prepare flexible 2D spin configurations, perform site-selective coherent manipulation, and demonstrate the implementation of simultaneous measurements of…
RaOCH$_3$ molecule is one of the most sensitive systems for the electron electric dipole moment ($e$EDM) searches. Its hyperfine and $K-$doubling structure in the external electric field is of key importance for preparing and interpreting…
We introduce four new molecules -- YbRb, YbCs, YbSr$^+$, and YbBa$^+$ -- that may prove fruitful in experimental searches for the electric dipole moment (EDM) of the electron. These molecules can, in principle, be prepared at extremely low…
We present a theoretical approach for ab initio calculations of the one-loop QED corrections to energy levels of heavy diatomic quasimolecules. This approach is based on the partial-wave expansion of the molecular wave and Green functions…
The multiconfiguration Dirac-Hartree-Fock (MCDHF) method has been employed to calculate atomic electric dipole moments (EDM) of 225^Ra, 199^Hg, and 171^Yb. For the calculations of the matrix elements we extended the relativistic atomic…
Vibrational overtones in deeply bound molecules are sensitive probes for variation of the proton-to-electron mass ratio $\mu$. In nonpolar molecules, these overtones may be driven as two-photon transitions. Here, we present procedures for…