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Comparison of relativistic effective core potential and all-electron Dirac-Coulomb calculations of mercury transition energies by the relativistic coupled-cluster method. / Mosyagin, N. S.; Eliav, E.; Titov, A. V.; Kaldor, U.

в: Journal of Physics B: Atomic, Molecular and Optical Physics, Том 33, № 4, 28.02.2000, стр. 667-676.

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

Harvard

Mosyagin, NS, Eliav, E, Titov, AV & Kaldor, U 2000, 'Comparison of relativistic effective core potential and all-electron Dirac-Coulomb calculations of mercury transition energies by the relativistic coupled-cluster method', Journal of Physics B: Atomic, Molecular and Optical Physics, Том. 33, № 4, стр. 667-676. https://doi.org/10.1088/0953-4075/33/4/305

APA

Mosyagin, N. S., Eliav, E., Titov, A. V., & Kaldor, U. (2000). Comparison of relativistic effective core potential and all-electron Dirac-Coulomb calculations of mercury transition energies by the relativistic coupled-cluster method. Journal of Physics B: Atomic, Molecular and Optical Physics, 33(4), 667-676. https://doi.org/10.1088/0953-4075/33/4/305

Vancouver

Mosyagin NS, Eliav E, Titov AV, Kaldor U. Comparison of relativistic effective core potential and all-electron Dirac-Coulomb calculations of mercury transition energies by the relativistic coupled-cluster method. Journal of Physics B: Atomic, Molecular and Optical Physics. 2000 Февр. 28;33(4):667-676. https://doi.org/10.1088/0953-4075/33/4/305

Author

Mosyagin, N. S. ; Eliav, E. ; Titov, A. V. ; Kaldor, U. / Comparison of relativistic effective core potential and all-electron Dirac-Coulomb calculations of mercury transition energies by the relativistic coupled-cluster method. в: Journal of Physics B: Atomic, Molecular and Optical Physics. 2000 ; Том 33, № 4. стр. 667-676.

BibTeX

@article{10a3d352b7ec4ed386d494374d872dcd,
title = "Comparison of relativistic effective core potential and all-electron Dirac-Coulomb calculations of mercury transition energies by the relativistic coupled-cluster method",
abstract = "Relativistic effective core potential (RECP) and all-electron Dirac-Coulomb calculations of transition energies for low-lying states of the mercury atom and its ions are carried out with equivalent basis sets by the relativistic coupled-cluster method. RECP results are compared with corresponding all-electron values to estimate the accuracy of different RECP versions. Contributions from correlations of different electron shells to the calculated transition energies are studied. Effects of different nuclear models and of basis set truncation of different orbital angular momenta as well as errors of the Gaussian approximation of the generalized RECP components are reported. We show that at least 34 external electrons of the mercury atom should be correlated and the one-electron basis set should contain up to h-type functions in order to attain consistent agreement within 200 cm-1 with experimental data.",
author = "Mosyagin, {N. S.} and E. Eliav and Titov, {A. V.} and U. Kaldor",
year = "2000",
month = feb,
day = "28",
doi = "10.1088/0953-4075/33/4/305",
language = "English",
volume = "33",
pages = "667--676",
journal = "Journal of the European Optical Society Part B: Quantum Optics",
issn = "0953-4075",
publisher = "IOP Publishing Ltd.",
number = "4",

}

RIS

TY - JOUR

T1 - Comparison of relativistic effective core potential and all-electron Dirac-Coulomb calculations of mercury transition energies by the relativistic coupled-cluster method

AU - Mosyagin, N. S.

AU - Eliav, E.

AU - Titov, A. V.

AU - Kaldor, U.

PY - 2000/2/28

Y1 - 2000/2/28

N2 - Relativistic effective core potential (RECP) and all-electron Dirac-Coulomb calculations of transition energies for low-lying states of the mercury atom and its ions are carried out with equivalent basis sets by the relativistic coupled-cluster method. RECP results are compared with corresponding all-electron values to estimate the accuracy of different RECP versions. Contributions from correlations of different electron shells to the calculated transition energies are studied. Effects of different nuclear models and of basis set truncation of different orbital angular momenta as well as errors of the Gaussian approximation of the generalized RECP components are reported. We show that at least 34 external electrons of the mercury atom should be correlated and the one-electron basis set should contain up to h-type functions in order to attain consistent agreement within 200 cm-1 with experimental data.

AB - Relativistic effective core potential (RECP) and all-electron Dirac-Coulomb calculations of transition energies for low-lying states of the mercury atom and its ions are carried out with equivalent basis sets by the relativistic coupled-cluster method. RECP results are compared with corresponding all-electron values to estimate the accuracy of different RECP versions. Contributions from correlations of different electron shells to the calculated transition energies are studied. Effects of different nuclear models and of basis set truncation of different orbital angular momenta as well as errors of the Gaussian approximation of the generalized RECP components are reported. We show that at least 34 external electrons of the mercury atom should be correlated and the one-electron basis set should contain up to h-type functions in order to attain consistent agreement within 200 cm-1 with experimental data.

UR - http://www.scopus.com/inward/record.url?scp=0033897059&partnerID=8YFLogxK

U2 - 10.1088/0953-4075/33/4/305

DO - 10.1088/0953-4075/33/4/305

M3 - Article

AN - SCOPUS:0033897059

VL - 33

SP - 667

EP - 676

JO - Journal of the European Optical Society Part B: Quantum Optics

JF - Journal of the European Optical Society Part B: Quantum Optics

SN - 0953-4075

IS - 4

ER -

ID: 11883048