Related papers: Ab initio calculations of 14N and 15N hyperfine st…
Some general features of the spectrum of the Hartree-Fock-Bogoliubov equations are examined. Special attention is paid to the asymptotic behavior of the single quasiparticle wave functions (s.qp.w.fs.), matter density distribution and…
We use all-order relativistic many-body perturbation theory to study 5s^2 nl configurations of In I and Sn II. Energies, E1-amplitudes, and hyperfine constants are calculated using all-order method, which accounts for single and double…
The local electronic structures of La2CuO4, three members of the Yttrium-family (YBa2Cu3O6, YBa2Cu3O7, and YBa2Cu4O8), and to some extent of Nd2CuO4 have been determined using all-electron ab-initio cluster calculations for clusters…
Ammonia is one of the most widely observed molecules in space, and many observations are able to resolve the hyperfine structure due to the electric quadrupole moment of the nitrogen nucleus. The observed spectra often display anomalies in…
We report the initial results from a systematic study of the hyperfine (HF) structure of antiprotonic helium (n,l) = (37,~35) carried out at the Antiproton Decelerator (AD) at CERN. We performed a laser-microwave-laser resonance…
We investigate the microwave spectra of ultracold alkali metal dimers in magnetic, electric and combined fields, taking account of the hyperfine structure due to the nuclear spins. We consider the molecules 41K87Rb and 7Li133Cs, which are…
Optical frequency measurements of the intercombination line $(6s^{2})\,^{1}S_{0} -(6s6p)\,^{3}P_{1}$ in the isotopes of ytterbium are carried out with the use of sub-Doppler fluorescence spectroscopy on an atomic beam. A dispersive signal…
Using a newly developed laser-microwave-laser resonance method, we observed a pair of microwave transitions between hyperfine levels of the $(n,L)=(37,35)$ state of antiprotonic helium. This experiment confirms the quadruplet hyperfine…
We present high-resolution optical spectra (at ~0.6--1.8 km s-1) of interstellar CN, CH, CH^+, \ion{Ca}{1}, \ion{K}{1}, and \ion{Ca}{2} absorption toward 29 lines of sight in three star-forming regions, \rho Oph, Cep OB2, and Cep OB3. The…
We employ a technique that combines the configuration interaction method with the singles-doubles coupled-cluster method to perform calculation of the energy levels, transition amplitudes, lifetimes, g-factors, and magnetic dipole and…
The advent of synchrotron sources has led to an increasing availability of high resolution Compton Profiles J(pz) and a consequent renewed interest in the reconstruction of the corresponding full momentum densities rho(p). We present…
The ab initio quasirelativistic Hartree-Fock method developed specifically for the calculation of spectral parameters of heavy atoms and highly charged ions was applied to determine atomic data for tungsten ions. The correlation effects…
We have observed the rotational ground-state (J = 1-0) transitions of DCO+, HN13C and DNC with the IRAM 30m telescope toward the dark cloud LDN 1512 which has exceptionally narrow lines permitting hyperfine splitting to be resolved in part.…
The sum-over-states (SOS) polarizabilities are calculated within the approximate independent electron theories such as the Hartree-Fock approximation and density functional models using the eigenvalues and orbitals obtained from the…
Accurate ab initio calculations of the energy levels of the superheavy elements Z=112 are presented. Relativistic Hartree-Fock and configuration interaction methods are combined with the many-body perturbation theory to construct the…
The combination of two-dimensional materials into heterostructures offers new opportunities for the design of optoelectronic devices with tunable properties. However, computing electronic and optical properties of such systems using…
We have experimentally determined the lateral registry and geometric structure of free-base porphine (2H-P) and copper-metalated porphine (Cu-P) adsorbed on Cu(111), by means of energy-scanned photoelectron diffraction (PhD), and compared…
The Z-vector method in the relativistic coupled-cluster framework is employed to calculate the parallel and perpendicular components of the magnetic hyperfine structure constant of a few small alkaline earth hydrides (BeH, MgH, and CaH) and…
Large-scale calculations of atomic structures and radiative properties have been carried out for singly, doubly- and trebly ionized cerium. For this purpose, the purely relativistic multiconfiguration Dirac-Hartree-Fock (MCDHF) method was…
Ab-initio calculations for the structural properties of Zr-Nb alloys at different values of the niobium concentration are done at zero temperature. Different cases for Zr-Nb alloys with unit cells having BCC and HCP structures are…