21 citations · 54 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)…
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…