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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 
unrecognised
Názov The DIRAC code for relativistic molecular calculations Aut.údaje Trond Saue, Radovan Bast ... [et al.] Autor Saue Trond (5%)
Spoluautori Bast Radovan (3%)
Gomes André Severo Pereira (3%)
Jensen Hans Jørgen Aa. (3%)
Visscher Lucas (3%)
Aucar Ignacio Agustín (3%)
Di Remigio Roberto (3%)
Dyall Kenneth G. (3%)
Eliav Ephraim (3%)
Fasshauer Elke (3%)
Fleig Timo (3%)
Halbert Loïc (3%)
Hedegård Erik Donovan (3%)
Helmich-Paris Benjamin (3%)
Iliaš Miroslav 1975- (20%) UMBFP08 - Katedra chémie
Jacob Christoph R. (3%)
Knecht Stefan (3%)
Laerdahl Jon K. (3%)
Vidal Marta L. (3%)
Nayak Malaya K. (3%)
Olejniczak Małgorzata (3%)
Olsen Jógvan Magnus Haugaard (3%)
Pernpointner Markus (3%)
Senjean Bruno (3%)
Shee Avijit (3%)
Sunaga Ayaki (3%)
van Stralen Joost N. P. (3%)
Zdroj.dok. The Journal of Chemical Physics. Vol. 152, no. 20 (2020), pp. 204104-1-204104-17. - New York : American Institute of Physics, 2020 Kľúč.slová DIRAC (softvér) - DIRAC (software) relativistická kvantová chémia molecular descriptors Form.deskr. články - journal articles Jazyk dok. angličtina Krajina Spojené štáty Anotácia ABSTRACT DIRAC is a freely distributed general-purpose program system for one-, two-, and four-component relativistic molecular calculations at the level of Hartree–Fock, Kohn–Sham (including range-separated theory), multiconfigurational self-consistent-field, multireference configuration interaction, electron propagator, and various flavors of coupled cluster theory URL Link na plný text Kategória publikačnej činnosti ADC Číslo archívnej kópie 47759 Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika unrecognised
Názov Nuclear spin-dependent parity-violating effects in light polyatomic molecules Aut.údaje Yongliang Hao, Petr Navrátil ... [et al.] Autor Hao Yongliang (16%)
Spoluautori Navrátil Petr (12%)
Norrgard Eric B. (12%)
Iliaš Miroslav 1975- (12%) UMBFP08 - Katedra chémie
Eliav Ephraim (12%)
Timmermans Rob G. E. (12%)
Flambaum V. V. (12%)
Borschevsky Anastasia (12%)
Zdroj.dok. Physical Review A : covering atomic, molecular, and optical physics and quantum information. Vol. 102, no. 5 (2020), pp. 052828-1-052828-14. - Maryland : American Physical Society, 2020 Kľúč.slová nuclear-spin-dependent molekuly - molecules molecular structures merania - measurements Form.deskr. články - journal articles Jazyk dok. angličtina Krajina Spojené štáty URL Link na plný text Kategória publikačnej činnosti ADC Číslo archívnej kópie 48738 Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika 
article
Názov Nuclear anapole moment interaction in BaF from relativistic coupled-cluster theory Aut.údaje Yongliang Hao ... [et al.] Autor Hao Yongliang (1%)
Spoluautori Iliaš Miroslav 1975- (95%) UMBFP08 - Katedra chémie
Eliav Ephraim (1%)
Schwerdtfeger Peter (1%)
Flambaum V. V. (1%)
Borschevsky Anastasia (1%)
Zdroj.dok. Physical Review A : covering atomic, molecular, and optical physics and quantum information. Vol. 98, no. 3 (2018), pp. [1-9]. - Maryland : American Physical Society, 2018 Kľúč.slová nukleárny anapólový moment BaF relativistická metóda spriahnutých klastrov Jazyk dok. angličtina Krajina Spojené štáty Systematika 54 Anotácia We present high-accuracy relativistic coupled-cluster calculations of the P-odd interaction coefficient W_A describing the nuclear anapole moment effect on the molecular electronic structure. The molecule under study, BaF, is considered a promising candidate for the measurement of the nuclear anapole moment, and the preparation for the experiment is now underway [E. Altuntaş et al., Phys. Rev. Lett. 120, 142501 (2018)] Kategória publikačnej činnosti ADC Číslo archívnej kópie 43102 Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika unrecognised