Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Yuriy V. Lomachuk"'
Autor:
Vera M. Shakhova, Daniil A. Maltsev, Yuriy V. Lomachuk, Nikolai S. Mosyagin, Leonid V. Skripnikov, Anatoly V. Titov
Publikováno v:
Physical Chemistry Chemical Physics. 24:19333-19345
Periodic-structure and two-component CTEP embedded cluster studies of YbF2, YbF3, YbCl2, and YbCl3 are performed. The CTEP method reproduces the electron density of ionic–covalent crystals within a small fragment with benchmark accuracy.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7c4f397b8847f4fba8b68be793cb1ac4
https://doi.org/10.1039/d2cp01738e
https://doi.org/10.1039/d2cp01738e
Autor:
Vera M, Shakhova, Daniil A, Maltsev, Yuriy V, Lomachuk, Nikolai S, Mosyagin, Leonid V, Skripnikov, Anatoly V, Titov
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(32)
The compound-tunable embedding potential (CTEP) method developed in [Lomachuk
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::f3e7a7c5d34b4f4486acea3073ed05cb
https://pubmed.ncbi.nlm.nih.gov/35942898
https://pubmed.ncbi.nlm.nih.gov/35942898
Publikováno v:
Physical Review A. 90
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 operators heavily concentrated in atomic cores is proposed. Among the prope
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::21b475cf3f2b6d06b90f71f9b62ca38b
https://doi.org/10.1103/physreva.90.052522
https://doi.org/10.1103/physreva.90.052522
Autor:
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 based on the pseudopotential model and one-center restoration method (to r
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e4c919090f36111362a4888abef34a90
http://arxiv.org/abs/1306.3424
http://arxiv.org/abs/1306.3424
