Y. Lomachuk

activity

20132023

most citedConcept of effective states of atoms in compounds to describe properties determined by the densities of valence electrons in atomic cores

54 citations · 111 across the 7 of their papers we have counts for

collaborators

Showing cond-mat.mtrl-sciShow all

2 papers · 1 filter

cond-mat.mtrl-sci2023★ 1 cited

Electronic structure study of YNbTiO $_{6}$ vs. CaNb $_{2}$ O $_{6}$ 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 $_{6}$ and CaNb $_{2}$ O $_{6}$ . Two one-center clusters cent…

cond-mat.mtrl-sci2023★ 12 cited

Compound-tunable embedding potential method to model local electronic excitations on $f$ -element ions in solids: Pilot relativistic coupled cluster study of Ce and Th impurities in yttrium orthophosphate, YPO $_{4}$

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)…

Electronic structure study of YNbTiO6​ vs. CaNb2​O6​ with U, Pu and minor actinide substitutions using compound-tunable embedding potential method

Compound-tunable embedding potential method to model local electronic excitations on f-element ions in solids: Pilot relativistic coupled cluster study of Ce and Th impurities in yttrium orthophosphate, YPO4​

Electronic structure study of YNbTiO $_{6}$ vs. CaNb $_{2}$ O $_{6}$ with U, Pu and minor actinide substitutions using compound-tunable embedding potential method

Compound-tunable embedding potential method to model local electronic excitations on $f$ -element ions in solids: Pilot relativistic coupled cluster study of Ce and Th impurities in yttrium orthophosphate, YPO $_{4}$