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Relativistic pseudopotential model for superheavy elements: applications to chemistry of eka-Hg and eka-Pb

Andrei Veniaminovich Zaitsevskii 1
Andrei Veniaminovich Zaitsevskii
, 
Christoph van Wüllen 2
Christoph van Wüllen
, 
Anatolii Vladimirovich Titov 3
Anatolii Vladimirovich Titov
1 Institute of Hydrogen Energetics and Plasma Technologies, Russian Research Centre "Kurchatov Institute"
2 Technical University of Kaiserslautern
3 B. P. Konstantinov Petersburg Nuclear Physics Institute, Russian Academy of Sciences
Published 30 November 2008
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Zaitsevskii A. V., van Wüllen C., Titov A. V. Relativistic pseudopotential model for superheavy elements: applications to chemistry of eka-Hg and eka-Pb // Russian Chemical Reviews. 2009. Vol. 78. No. 12. pp. 1173-1181.
GOST all authors (up to 50)
Zaitsevskii A. V., van Wüllen C., Titov A. V. Relativistic pseudopotential model for superheavy elements: applications to chemistry of eka-Hg and eka-Pb // Russian Chemical Reviews. 2009. Vol. 78. No. 12. pp. 1173-1181.
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TY - JOUR
DO - 10.1070/RC2009v078n12ABEH004075
UR - https://rcr.colab.ws/publications/10.1070/RC2009v078n12ABEH004075
TI - Relativistic pseudopotential model for superheavy elements: applications to chemistry of eka-Hg and eka-Pb
T2 - Russian Chemical Reviews
AU - Zaitsevskii, Andrei Veniaminovich
AU - van Wüllen, Christoph
AU - Titov, Anatolii Vladimirovich
PY - 2009
DA - 2008/11/30
PB - ANO Editorial Board of the journal Uspekhi Khimii
SP - 1173-1181
IS - 12
VL - 78
ER -
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BibTex (up to 50 authors)
@article{2009_Zaitsevskii,
author = {Andrei Veniaminovich Zaitsevskii and Christoph van Wüllen and Anatolii Vladimirovich Titov},
title = {Relativistic pseudopotential model for superheavy elements: applications to chemistry of eka-Hg and eka-Pb},
journal = {Russian Chemical Reviews},
year = {2009},
volume = {78},
publisher = {ANO Editorial Board of the journal Uspekhi Khimii},
month = {Nov},
url = {https://rcr.colab.ws/publications/10.1070/RC2009v078n12ABEH004075},
number = {12},
pages = {1173--1181},
doi = {10.1070/RC2009v078n12ABEH004075}
}
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Zaitsevskii, Andrei Veniaminovich, et al. “Relativistic pseudopotential model for superheavy elements: applications to chemistry of eka-Hg and eka-Pb.” Russian Chemical Reviews, vol. 78, no. 12, Nov. 2009, pp. 1173-1181. https://rcr.colab.ws/publications/10.1070/RC2009v078n12ABEH004075.
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Abstract

Relativistic pseudopotential approach to the electronic structure simulation of superheavy elements (SHE) compounds is presented. Advanced formulations of this approach leaving both valence and outer-core electronic shells for explicit treatment give rise to simple and efficient computational techniques ensuring highly accurate description of most chemical properties of SHE. At present, the errors due to the use of approximate methods for solving the correlation problem for a subsystem of valence electrons are much larger than those stemming from the pseudopotential approximation itself. Recent applications to the studies of the chemistry of elements 112 (eka-Hg) and 114 (eka-Pb) are reviewed; properties of these elements and their lighter homologues, Hg and Pb, are compared.