21 citations · 54 across the 5 of their papers we have counts for
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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…