Related papers: Isotope shift calculations for atoms with one vale…
An electronically variational approach to the calculation of atomic hyperfine structure transition energies under the influence of static external electric fields is presented. The method avoids the calculation of intermediate atomic states…
In this Letter, we present mass-ratio measurements on highly charged Yb$^{42+}$ ions with a precision of $4\times 10^{-12}$ and isotope-shift measurements on Yb$^{+}$ on the $^{2}$S$_{1/2}$ $\to$ $^{2}$D$_{5/2}$ and $^{2}$S$_{1/2}$ $\to$…
We calculate vacuum polarization corrections to the binding energies in neutral alkali atoms Na through to the superheavy element E119. We employ the relativistic Hartree-Fock method to demonstrate the importance of relaxation of the…
Atomic microwave clocks based on hyperfine transitions, such as the caesium standard, tick with a frequency that is proportional to the magnetic moment of the nucleus. This magnetic moment varies strongly between isotopes of the same atom,…
The {\AA}ngstr\"om-sized probe of the scanning transmission electron microscope can visualize and collect spectra from single atoms. This can unambiguously resolve the chemical structure of materials, but not their isotopic composition.…
Optical atomic clocks are the most accurate measurement devices ever constructed and have found many applications in fundamental science and technology. The use of highly charged ions (HCI) as a new class of references for highest accuracy…
Precise solutions of the Hartree-Fock equations for the ground state of the hydrogen molecule are obtained for a wide range of internuclear distances R by means of a two-dimensional fully numerical mesh computational method. The spatial…
High-precision spectroscopy of simple atomic systems can be used to advance the theory of atomic energy levels but can also serve as a sensitive probe of nuclear charge radii. For this last purpose, we report an improved measurement of the…
The lack of reliable atomic data can be a severe limitation in astrophysical modelling, in particular of events such as kilonovae that require information on all neutron-capture elements across a wide range of ionization stages. Notably,…
This work presents exchange potentials for specific orbitals calculated by inverting Hartree-Fock wavefunctions. This was achieved by using a Depurated Inversion Method. The basic idea of the method relies upon the substitution of…
Accurate atomic data are essential for opacity calculations and for abundance analyses of the Sun and other stars. The aim of this work is to provide accurate and extensive results of energy levels and transition data for C I - IV. The…
Using the relativistic Hartree-Fock approximation, we calculate the rates of atomic ionization by absorption of pseudoscalar particles in the mass range from 10 to $\sim$ 50 keV. We present numerical results for atoms relevant for the…
The issues raised in the comment by T.A. Manz are addressed through the presentation of calculated atomic charges for NaF, NaCl, MgO, SrTiO$_3$ and La$_2$Ce$_2$O$_7$, using our previously presented method for calculating Hirshfeld-I charges…
Electromagnetic and weak transitions tell us a great deal about the structure of atomic nuclei. Yet modeling transitions can be difficult: it is often easier to compute the ground state, if only as an approximation, than excited states. One…
Quasi-forbidden electronic transitions in atoms and quasi-degenerate vibronic transitions in molecules serve as powerful probes of hypothetical temporal variations of fundamental constants. Computation of the sensitivity of a transition to…
We theoretically study orbital alignment in x-ray-ionized atoms and ions, based on improved electronic-structure calculations starting from the Hartree-Fock-Slater model. We employ first-order many-body perturbation theory to improve the…
The isotope effects in Si$^-$ bound levels are studied using the multi-configuration Hartree-Fock ab initio approach. Large scale calculations are carried out for the $3p^3\ ^4S^o,\, ^2D^o$ and $^2P^o$ multiplets of Si$^-$ and the $3p^2\…
Donor-based quantum devices in silicon are attractive platforms for universal quantum computing and analog quantum simulations. The nearly-atomic precision in dopant placement promises great control over the quantum properties of these…
We use relativistic Hartree-Fock and configuration interaction methods to calculate the dependence of transition frequencies for singly ionized cobalt on the fine structure constant. The results are to be used in the search for variation of…
Optical atomic clocks using highly-charged ions hold an intriguing promise of metrology at the 19th significant figure. Here we study transitions within the $4f^{12}$ ground-state electronic configuration of highly charged ions. We consider…