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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 114, 2016 - Issue 7-8: Special Issue in honour of Andreas Savin
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Development and Application of Electronic-Structure Methods

Relativistic coupled-cluster calculations of the 173Yb nuclear quadrupole coupling constant for the YbF moleculeFootnote*

L. F. PaštekaCentre for Theoretical Chemistry and Physics, The New Zealand Institute for Advanced Study, Massey University Auckland, Auckland, New Zealand;Department of Physical and Theoretical Chemistry, Faculty of Natural Sciences, Comenius University, Bratislava, SlovakiaORCID Iconhttps://orcid.org/0000-0002-0617-0524
ORCID Icon,
R. J. MawhorterDepartment of Physics & Astronomy, Pomona College, Claremont, CA, USA
&
P. SchwerdtfegerCentre for Theoretical Chemistry and Physics, The New Zealand Institute for Advanced Study, Massey University Auckland, Auckland, New ZealandCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0003-4845-686X
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Pages 1110-1117 | Received 08 Oct 2015, Accepted 01 Jan 2016, Published online: 06 Feb 2016

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Pekka Pyykkö. (2018) Year-2017 nuclear quadrupole moments. Molecular Physics 116:10, pages 1328-1338.
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Articles from other publishers (9)

Yuly Chamorro, Anastasia Borschevsky, Ephraim Eliav, Nicholas R. Hutzler, Steven Hoekstra & Lukáš F. Pašteka. (2022) Molecular enhancement factors for the -violating electric dipole moment of the electron in and symmetric top molecules . Physical Review A 106:5.
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Johann V. Pototschnig, Kenneth G. Dyall, Lucas Visscher & André Severo Pereira Gomes. (2021) Electronic spectra of ytterbium fluoride from relativistic electronic structure calculations. Physical Chemistry Chemical Physics 23:39, pages 22330-22343.
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Johann V. Pototschnig, Anastasios Papadopoulos, Dmitry I. Lyakh, Michal Repisky, Loïc Halbert, André Severo Pereira Gomes, Hans Jørgen Aa Jensen & Lucas Visscher. (2021) Implementation of Relativistic Coupled Cluster Theory for Massively Parallel GPU-Accelerated Computing Architectures. Journal of Chemical Theory and Computation 17:9, pages 5509-5529.
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Chaoqun Zhang, Xuechen Zheng & Lan Cheng. (2021) Calculations of time-reversal-symmetry-violation sensitivity parameters based on analytic relativistic coupled-cluster gradient theory. Physical Review A 104:1.
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Junzi Liu, Xuechen Zheng, Ayush Asthana, Chaoqun Zhang & Lan Cheng. (2021) Analytic evaluation of energy first derivatives for spin–orbit coupled-cluster singles and doubles augmented with noniterative triples method: General formulation and an implementation for first-order properties. The Journal of Chemical Physics 154:6.
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Hailing Wang, Anh T. Le, Timothy C. Steimle, Elise Anne C. Koskelo, Graceson Aufderheide, Richard Mawhorter & Jens-Uwe Grabow. (2019) Fine and hyperfine interaction in . Physical Review A 100:2.
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Malika Denis, Pi A. B. Haase, Rob G. E. Timmermans, Ephraim Eliav, Nicholas R. Hutzler & Anastasia Borschevsky. (2019) Enhancement factor for the electric dipole moment of the electron in the BaOH and YbOH molecules. Physical Review A 99:4.
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Wael Chmaisani & Mahmoud Korek. (2018) Ab initio study of the low-lying electronic states of YbCl molecule including spin-obit effects. Journal of Quantitative Spectroscopy and Radiative Transfer 217, pages 63-72.
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Jongseok Lim, James R. Almond, M.R. Tarbutt, Duc Trung Nguyen & Timothy C. Steimle. (2017) The [557]-X2Σ+ and [561]-X2Σ+ bands of ytterbium fluoride, 174YbF. Journal of Molecular Spectroscopy 338, pages 81-90.
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