54 citations · 111 across the 7 of their papers we have counts for
7 papers
Electronic structure study of YNbTiO vs. CaNbO with U, Pu and minor actinide substitutions using compound-tunable embedding potential method
D. A. Maltsev, Yu. V. Lomachuk, V. M. Shakhova +3
The compound-tunable embedding potential (CTEP) method is applied to study actinide substitutions in the niobate crystals YNbTiO and CaNbO. Two one-center clusters cent…
Compound-tunable embedding potential method to model local electronic excitations on -element ions in solids: Pilot relativistic coupled cluster study of Ce and Th impurities in yttrium orthophosphate, YPO
Alexander V. Oleynichenko, Yuriy V. Lomachuk, Daniil A. Maltsev +4
A method to simulate local properties and processes in crystals with impurities via constructing cluster models within the frame of the compound-tunable embedding potential (CTEP)…
Excitation of the Th nucleus by the hole in the inner electronic shells
M. G. Kozlov, A. V. Oleynichenko, D. Budker +6
The Th nucleus has a long-lived isomeric state at 8.338(24) eV [Kraemer et al, Nature, \textbf{617}, 706 (2023)]. This state is connected to the ground state by an M1…
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…
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…
Method of evaluating chemical shifts of X-ray emission lines in molecules and solids
Yuriy V. Lomachuk, Anatoly V. Titov
Method of evaluating chemical shifts of X-ray emission lines for sufficiently heavy atoms (beginning from period 4 elements) in chemical compounds is developed. This method is base…