24 citations · 57 across the 5 of their papers we have counts for
5 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)…
The role of QED effects in transition energies of heavy-atom alkaline earth monofluoride molecules: a theoretical study of Ba, BaF, RaF and E120F
Leonid V. Skripnikov, Dmitry V. Chubukov, Vera M. Shakhova
Heavy-atom alkaline earth monofluoride molecules are considered as prospective systems to study spatial parity or spatial parity and time-reversal symmetry violating effects such a…
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…
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…