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We present a unified variational treatment of the electric quadrupole (E2) matrix elements, Einstein coefficients, and line strengths for general open-shell diatomic molecules in the general purpose diatomic code \Duo. Transformation…
The recoil, vacuum polarization and electron vertex corrections of first and second orders in the fine structure constant $\alpha$ and the ratio of electron to muon and electron to \alpha-particle masses are calculated in the hyperfine…
We demonstrate the importance of electron correlation effects in the hyperfine structure constants of many low-lying states in $^{210}$Fr and $^{212}$Fr. This is achieved by calculating the magnetic dipole and electric quadrupole hyperfine…
Many powerful tests of the Standard Model of particle physics and searches for new physics with precision atomic spectroscopy are plagued by our lack of knowledge of nuclear properties. Ideally, such properties may be derived from precise…
Multipole moments are the first order responses of the energy to spatial derivatives of the electric field strength. The quality of density functional theory (DFT) prediction of molecular multipole moments thus characterizes errors in…
We propose using matrix-isolated paramagnetic diatomic molecules to search for the electric dipole moment of electron (eEDM). As was suggested by Shapiro in 1968, the eEDM leads to a magnetization of a sample in the external electric field.…
Applications of 3D-RISM-KH molecular solvation theory range from solvation energy of small molecules to phase behavior of polymers and biomolecules. It predicts the molecular mechanisms of chemical and biomolecular systems. Replica…
We perform laser spectroscopy of dysprosium monoxide (DyO) to determine the hyperfine structure of the ground X8 and excited [17.1]7 states in the $^{161}$Dy and $^{163}$Dy isotopologues. These dysprosium nuclei have non-zero nuclear spin…
The first observation of the resolved Mims electron-nuclear double resonance (ENDOR) spectra from the nearby and remote nuclei of 19F and 7Li nuclei on impurity Ce3+ ions in LiYF4 crystal is reported. It shows that LiYF4:Ce3+ system can be…
An electron density functional approach for the calculation of the nuclear multipole moments is presented. The electronic matrix elements entering the experimentally observed hyperfine electron-nucleus interaction constants in atoms are…
The reaction between He$^+$ and CH$_3$F forming predominantly CH$_2^+$ and CHF$^+$ has been studied at collision energies $E_{\rm coll}$ between 0 and $k_{\rm B}\cdot 10$~K in a merged-beam apparatus. To avoid heating of the ions by stray…
Determining the 3-dimensional crystallography of a material with sub-nanometre resolution is essential to understanding strain effects in epitaxial thin films. A new scanning transmission electron microscopy imaging technique is…
Reaching high densities is a key step towards cold-collision experiments with polyatomic molecules. We use a cryofuge to load up to 2$\times10^7$ CH$_3$F molecules into a box-like electric trap, achieving densities up to 10$^7$/cm$^3$ at…
The study of molecular systems provides exceptional opportunities for the exploration of the fundamental laws of nature and for the search for physics beyond the Standard Model of particle physics. Measurements of molecules composed of…
Some experimental evidences for methane are produced that the simple transition from frequency scanning of nonlinear-optical resonances to magnetic one may be accompanied with transition from sub-Doppler collisionally broadened structure to…
Density functional theory (DFT) calculation has had huge success as a tool capable of predicting important physical and chemical properties of condensed matter systems. We calculate the electric dipole moment of a molecule by using the…
We performed magnetic field and frequency tunable electron paramagnetic resonance spectroscopy of an Er$^{3+}$ doped Y$_2$SiO$_5$ crystal by observing the change in flux induced on a direct current-superconducting quantum interference…
The work presents the electronic structure, spin state and optical properties of TM-dinuclear molecules (TM = Cr, Mn, Fe, Co, and Ni) which was modelled according to the recently reported Pt$^{II}$-dinuclear complex…
The measurement of the electric dipole moment (EDM) is an excellent test of the standard model of particle physics, and the detection of a finite value is signal of a new source of CP violation beyond it. Among systems for which the EDM can…
The electric dipole response of the halo nucleus $^{11}$Li is calculated in a hyperspherical three-body formulation, and is studied as a function of the interaction employed for $n-^9$Li to reflect the Pauli principle. Strength…