V. M. Shakhova

activity

20192023

most citedThe role of QED effects in transition energies of heavy-atom alkaline earth monofluoride molecules: a theoretical study of Ba

^{+}

, BaF, RaF and E120F

24 citations · 57 across the 5 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 $_{2}$ and YbF $_{3}$

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★ 18 cited

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…

Compound-tunable embedding potential method and its application to ytterbium fluoride crystals YbF2​ and YbF3​

Compound-tunable embedding potential method and its application to fersmite crystal

Compound-tunable embedding potential method and its application to ytterbium fluoride crystals YbF $_{2}$ and YbF $_{3}$