107 citations · 1.9k across the 79 of their papers we have counts for
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A relativistic coupled-cluster treatment of magnetic hyperfine structure of the and states of OH isotopologues
D. P. Usov, Y. S. Kozhedub, A. V. Stolyarov +3
calculations of the parallel component of the magnetic dipole hyperfine structure (HFS) constant have been carried out for hydroxyl radical isotopologues ($^{1…
Impact of ligand (OH) deformation on LuOH rovibrational spectra
Igor Kurchavov, Sergey Prosnyak, Leonid V. Skripnikov +1
Triatomic cation LuOH, featuring near-degenerate, opposite-parity -doublets, offers enhanced sensitivity to - and -violating interactions.…
Rotational and Near-IR Spectra of PbF: Characterization of the Coupled and States
Sean Jackson, Luke Kim, Andreas Biekert +7
Observations of the rotational spectrum of lead monofluoride, PbF, have been extended up to transitions in the \textit{v} = 7 level for PbF in the lowest s…
Global and local approaches to population analysis: bonding patterns in superheavy element compounds
Alexander V. Oleynichenko, Andréi Zaitsevskii, Stepan Romanov +2
Relativistic effective atomic configurations of superheavy elements Cn, Nh and Fl and their lighter homologues (Hg, Tl and Pb) in their simple compounds with fluorine and oxygen ar…
Compound-tunable embedding potential method and its application to ytterbium fluoride crystals YbF and YbF
V. M. Shakhova, D. A. Maltsev, Yu. V. Lomachuk +3
Compound-tunable embedding potential (CTEP) method developed in previous works to describe electronic structure of fragments in materials is applied to crystals containing periodic…
Which oxidation state of uranium and thorium as point defects in xenotime is favorable?
Yuriy V. Lomachuk, Daniil A. Maltsev, Nikolai S. Mosyagin +3
Relativistic study of xenotime, YPO, containing atoms thorium and uranium as point defects is performed in the framework of cluster model with using the compound-tunable embedd…
Compound-tunable embedding potential method and its application to fersmite crystal
D. A. Maltsev, Yu. V. Lomachuk, V. M. Shakhova +3
Compound-tunable embedding potential (CTEP) method is proposed. A fragment of some chemical compound, "main cluster" in the present paper, is limited by boundary anions such that t…
Concept of effective states of atoms in compounds to describe properties determined by the densities of valence electrons in atomic cores
Anatoly V. Titov, Yuriy V. Lomachuk, Leonid V. Skripnikov
A new approach for describing the effective electronic states of "atoms in compounds" to study the properties of molecules and condensed matter which are circumscribed by the opera…
Theoretical study of ThO for the electron electric dipole moment search
L. V. Skripnikov, A. N. Petrov, A. V. Titov
An experiment to search for the electron electric dipole moment (\eEDM) on the metastable state of ThO molecule was proposed and now in the final stage of preparation by t…
Theoretical study of the parity and time reversal violating interaction in solids
L. V. Skripnikov, A. V. Titov
A new theoretical approach to study the properties in solids, which are sensitive to a change of densities of the valence electrons in atomic cores (hyperfine structure constants,…
Relativistic coupled cluster calculations of spectroscopic and chemical properties for element 120
L. V. Skripnikov, N. S. Mosyagin, A. V. Titov
The coupled cluster calculations with accounting for relativistic effects to study spectroscopic and chemical properties of element 120 (E120) are performed. Similar calculations f…