54 citations · 111 across the 7 of their papers we have counts for
4 papers · 1 filter
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…
Concept of effective states of atoms in compounds to describe properties determined by the densities of valence electrons in atomic cores
Anatoly V. Titov, Yuriy V. Lomachuk, Leonid V. Skripnikov
A new approach for describing the effective electronic states of "atoms in compounds" to study the properties of molecules and condensed matter which are circumscribed by the opera…
Method of evaluating chemical shifts of X-ray emission lines in molecules and solids
Yuriy V. Lomachuk, Anatoly V. Titov
Method of evaluating chemical shifts of X-ray emission lines for sufficiently heavy atoms (beginning from period 4 elements) in chemical compounds is developed. This method is base…