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Title Systematic study and uncertainty evaluation of P, T-odd molecular enhancement factors in BaF Author info Pi A. B. Haase, Diewertje J. Doeglas ... [et al.] Author Haase Pi A. B. (5%)
Co-authors J. Doeglas Diewertje (5%)
Boeschoten Alexander (5%)
Eliav Efraim (5%)
Iliaš Miroslav 1975- (5%) UMBFP08 - Katedra chémie
Aggarwal Parul (5%)
Bethlem H. L. (5%)
Borschevsky Anastasia (5%)
Esajas Kevin (5%)
Hao Yongliang (5%)
Hoekstra Steven (5%)
Marshall Virginia R. (5%)
Meijknecht Thomas B. (5%)
Mooij Maarten C. (5%)
Steinebach Kees (5%)
Timmermans Rob G. E. (5%)
Touwen Anno P. (5%)
Ubachs Wim (5%)
Willmann Lorenz (5%)
Yin Yanning (5%)
Source document The Journal of Chemical Physics. Vol. 155, no. 3 (2021), pp. [034309-1-034309-14]. - New York : American Institute of Physics, 2021 Keywords BaF dipólový moment elektrónové vlastnosti Form. Descr. články - journal articles Language English Country United States of America Annotation In this work, we use the finite field relativistic coupled cluster approach to calculate the Wd and Ws parameters in the ground state of the BaF molecule. URL Link na plný text Public work category ADC No. of Archival Copy 50734 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika 
article
Title Hyperfine structure constants on the relativistic coupled cluster level with associated uncertainties Author info Pi A. B. Haase, Ephraim Eliav ... [et al.] Author Haase Pi A. B. (20%)
Co-authors Eliav Ephraim (10%)
Iliaš Miroslav 1975- (60%) UMBFP08 - Katedra chémie
Borschevsky Anastasia (10%)
Source document The Journal of Physical Chemistry A. Vol. 124, no. 16 (2020), pp. 3157-3169. - Washington : The American Chemical Society, 2020 Keywords relativistická metóda spriahnutých klastrov atómové konštanty štiepenie Form. Descr. články - journal articles Language English Country United States of America Annotation Accurate predictions of hyperfine structure (HFS) constants are important in many areas of chemistry and physics, from the determination of nuclear electric and magnetic moments to benchmarking of new theoretical methods. We present a detailed investigation of the performance of the relativistic coupled cluster method for calculating HFS constants within the finite-field scheme. URL Link na plný text Public work category ADC No. of Archival Copy 47744 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika 
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