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Ab initio study of Hg-Hg and E112-E112 van der Waals interactions. / Petrov, A. N.; Mosyagin, N. S.; Titov, A. V.; Zaitsevskii, A. V.; Rykova, E. A.

в: Physics of Atomic Nuclei, Том 72, № 3, 03.2009, стр. 396-400.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Harvard

Petrov, AN, Mosyagin, NS, Titov, AV, Zaitsevskii, AV & Rykova, EA 2009, 'Ab initio study of Hg-Hg and E112-E112 van der Waals interactions', Physics of Atomic Nuclei, Том. 72, № 3, стр. 396-400. https://doi.org/10.1134/S1063778809030028

APA

Petrov, A. N., Mosyagin, N. S., Titov, A. V., Zaitsevskii, A. V., & Rykova, E. A. (2009). Ab initio study of Hg-Hg and E112-E112 van der Waals interactions. Physics of Atomic Nuclei, 72(3), 396-400. https://doi.org/10.1134/S1063778809030028

Vancouver

Petrov AN, Mosyagin NS, Titov AV, Zaitsevskii AV, Rykova EA. Ab initio study of Hg-Hg and E112-E112 van der Waals interactions. Physics of Atomic Nuclei. 2009 Март;72(3):396-400. https://doi.org/10.1134/S1063778809030028

Author

Petrov, A. N. ; Mosyagin, N. S. ; Titov, A. V. ; Zaitsevskii, A. V. ; Rykova, E. A. / Ab initio study of Hg-Hg and E112-E112 van der Waals interactions. в: Physics of Atomic Nuclei. 2009 ; Том 72, № 3. стр. 396-400.

BibTeX

@article{13cfdf2dfab24315a7c48965b9c3cb51,
title = "Ab initio study of Hg-Hg and E112-E112 van der Waals interactions",
abstract = "The ground electronic state of the eka-mercury dimer (E1122) was studied within the model of generalized relativistic effective core potentials. A combined procedure based on describing correlation effects by the scalar relativistic coupled-cluster method and on taking into account spin-dependent interactions by means of density-functional theory was used in the calculations. A high accuracy of this approach was confirmed by the results of similar calculations for the mercury dimer. It was found that the bond length is nearly 0.4 {\AA} shorter in E1122 than in Hg2 and that the dissociation energy of the former is approximately twice as high as that of the latter dimer.",
author = "Petrov, {A. N.} and Mosyagin, {N. S.} and Titov, {A. V.} and Zaitsevskii, {A. V.} and Rykova, {E. A.}",
year = "2009",
month = mar,
doi = "10.1134/S1063778809030028",
language = "English",
volume = "72",
pages = "396--400",
journal = "Physics of Atomic Nuclei",
issn = "1063-7788",
publisher = "МАИК {"}Наука/Интерпериодика{"}",
number = "3",

}

RIS

TY - JOUR

T1 - Ab initio study of Hg-Hg and E112-E112 van der Waals interactions

AU - Petrov, A. N.

AU - Mosyagin, N. S.

AU - Titov, A. V.

AU - Zaitsevskii, A. V.

AU - Rykova, E. A.

PY - 2009/3

Y1 - 2009/3

N2 - The ground electronic state of the eka-mercury dimer (E1122) was studied within the model of generalized relativistic effective core potentials. A combined procedure based on describing correlation effects by the scalar relativistic coupled-cluster method and on taking into account spin-dependent interactions by means of density-functional theory was used in the calculations. A high accuracy of this approach was confirmed by the results of similar calculations for the mercury dimer. It was found that the bond length is nearly 0.4 Å shorter in E1122 than in Hg2 and that the dissociation energy of the former is approximately twice as high as that of the latter dimer.

AB - The ground electronic state of the eka-mercury dimer (E1122) was studied within the model of generalized relativistic effective core potentials. A combined procedure based on describing correlation effects by the scalar relativistic coupled-cluster method and on taking into account spin-dependent interactions by means of density-functional theory was used in the calculations. A high accuracy of this approach was confirmed by the results of similar calculations for the mercury dimer. It was found that the bond length is nearly 0.4 Å shorter in E1122 than in Hg2 and that the dissociation energy of the former is approximately twice as high as that of the latter dimer.

UR - http://www.scopus.com/inward/record.url?scp=63449133538&partnerID=8YFLogxK

U2 - 10.1134/S1063778809030028

DO - 10.1134/S1063778809030028

M3 - Article

AN - SCOPUS:63449133538

VL - 72

SP - 396

EP - 400

JO - Physics of Atomic Nuclei

JF - Physics of Atomic Nuclei

SN - 1063-7788

IS - 3

ER -

ID: 11880025