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 2019Show all

2 papers · 1 filter

physics.chem-ph2019★ 2 cited

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…

physics.chem-ph2019★ 21 cited

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…