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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 
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Názov Relativistic study of nuclear-anapole-moment effects in diatomic molecules Súbež.n. Relativistické štúdium jadrovo-anapólových efektov v dvojatómových molekulách Aut.údaje A. Borschevsky ... [et al.] Autor Borschevsky Anastasia (40%)
Spoluautori Iliaš Miroslav 1975- (40%) UMBFP08 - Katedra chémie
Dzuba V. A. (10%)
Flambaum V. V. (5%)
Schwerdtfeger Peter (5%)
Zdroj.dok. Physical Review A : covering atomic, molecular, and optical physics and quantum information. Vol. 88, no. 2 (2013), pp. [1-6]. - Maryland : American Physical Society, 2013 Kľúč.slová jadrovo-anapólový moment nuclear-anapole-moment relativistické efekty relativistic effects dvojatómové molekuly diatomic molecules Jazyk dok. angličtina Krajina Spojené štáty Systematika 54 Anotácia Nuclear-spin-dependent (NSD) parity violating effects are studied for a number of diatomic molecules using relativistic Hartree-Fock and density-functional theory and accounting for core polarization effects. Heavy diatomic molecules are good candidates for the successful measurement of the nuclear anapole moment, which is the dominant NSD parity violation term in heavy elements URL Link na plný text Kategória publikačnej činnosti ADC Číslo archívnej kópie 26478 Kategória ohlasu SKRIPNIKOV, L. V. - KUDASHOV, A. D. - PETROV, A. N. - TITOV, A. V. Search for parity- and time-and-parity-violation effects in lead monofluoride (PbF) : Ab initio molecular study. In Physical review A. ISSN 1050-2947, 2014, vol. 90, no. 6, article no. D64501.
KUDASHOV, A. D. - PETROV, A. N. - SKRIPNIKOV, L. V. et al. Ab initio study of radium monofluoride (RaF) as a candidate to search for parity- and time-and-parity-violation effects. In Physical review A. ISSN 1050-2947, 2014, vol. 90, no. 5, article no. D52513.
GLASSMAN, Zachary - MAWHORTER, Richard - GRABOW, Jens-Uwe et al. The hyperfine interaction in the odd isotope of ytterbium fluoride, (YbF)-Yb-171. In Journal of molecular spectroscopy. ISSN 0022-2852, 2014, vol. 300, pp. 7-11.
ISAEV, T. A. - BERGER, R. Periodic trends in parity-violating hyperfine coupling constants of open-shell diatomic molecules. In Journal of molecular spectroscopy. ISSN 0022-2852, 2014, vol. 300, pp. 26-30.
CAHN, S. B. - AMMON, J. - KIRILOV, E. et al. Zeeman-tuned rotational level-crossing spectroscopy in a diatomic free radical. In Physical review letters. ISSN 0031-9007, 2014, vol. 112, no. 16, article no. 163002.
SKRIPNIKOV, L. V. - PETROV, A. N. - TITOV, A. V. - MAWHORTER, R. J. - BAUM, A. L. - SEARS, T. J. - GRABOW, J-U. Further investigation of g factors for the lead monofluoride ground state. In Physical review A. ISSN 1050-2947, 2015, vol. 92, no. 3, article no. 032508.
CHOI, J. - ELLIOTT, D. S. Measurement scheme and analysis for weak ground-state-hyperfine-transition moments through two-pathway coherent control. In Physical review A. ISSN 2469-9926, 2016, vol. 93, no. 2.
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Názov Nuclear-spin-dependent parity violation in diatomic molecular ions Súbež.n. Porušenie symetrie závisiacej od jadrového spinu v dvojatómových molekulových iónoch Aut.údaje A. Borschevsky,.. [et al.] Autor Borschevsky Anastasia (25%)
Spoluautori Iliaš Miroslav 1975- (25%) UMBFP08 - Katedra chémie
Dzuba V. A. (13%)
Beloy K. (13%)
Flambaum V. V. (12%)
Schwerdtfeger Peter (12%)
Zdroj.dok. Physical Review A : covering atomic, molecular, and optical physics and quantum information. Vol. 86, no. 5 (2012), pp. [1-4]. - Maryland : American Physical Society, 2013 Poznámka 050501/R/ (2012), 050501-1-050501-4 Kľúč.slová porušenie symetrie dvojatómové molekulové ióny nuclear-spin-dependent parity violation diatomic molecular ions Jazyk dok. angličtina Krajina Spojené štáty Anotácia Nuclear-spin-dependent (NSD) parity-violating (PV) effects can be strongly enhanced in diatomic molecules containing heavy atoms. Future measurements are anticipated to provide nuclear anapole moments and strength constants for PV nuclear forces. In light molecules, the NSD electroweak electron-nucleus interaction may also be detected. Here we calculate NSD PV effects for molecular ions. Our calculations are motivated by rapid developments in trapping techniques for such systems at low temperatures. URL Link na plný text Kategória publikačnej činnosti ADC Číslo archívnej kópie 23545 Kategória ohlasu VAN DEN BERG, J. E. - MATHAVAN, S. C. - MEINEMA, C. et al. Traveling-wave deceleration of SrF molecules. In Journal of molecular spectroscopy. ISSN 0022-2852, 2014, vol. 300, pp. 22-25.
VU QUANG TRAN - KARR, Jean-Philippe - DOUILLET, Albane et al. Two-photon spectroscopy of trapped HD+ ions in the Lamb-Dicke regime. In Physical review A. ISSN 1050-2947, 2013, vol. 88, no. 3, article no. D33421.
VERSOLATO, O. O. - SCHWARZ, M. - HANSEN, A. K. et al. Decay rate measurement of the first vibrationally excited state of MgH+ in a cryogenic Paul Trap. In Physical review letters. ISSN 0031-9007, 2013, vol. 111, no. 5, article no. 053002.
GUNST, J. - SURZHYKOV, A. - ARTEMYEV, A. et al. Parity-nonconservation effects on the radiative recombination of heavy hydrogenlike ions. In Physical review A. ISSN 1050-2947, 2013, vol. 87, no. 3, article no. D32714.
MIDYA, Bikashkali - TOMZA, Michal - SCHMIDT, Richard - LEMESHKO, Mikhail. Rotation of cold molecular ions inside a Bose-Einstein condensate. In Physical review A. ISSN 2469-9926, 2016, vol. 94, no. 4.
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Názov P-odd interaction constant W(A) from relativistic ab initio calculations of diatomic molecules Súbež.n. P-nepárne interakčné konštanty WA z relativistických ab-initio výpočtov Aut.údaje A. Borschevsky ... [et al.] Autor Borschevsky Anastasia (12%)
Spoluautori Iliaš Miroslav 1975- (40%) UMBFP08 - Katedra chémie
Dzuba V. A. (12%)
Beloy K. (12%)
Flambaum V. V. (12%)
Schwerdtfeger Peter (12%)
Zdroj.dok. Physical Review A : covering atomic, molecular, and optical physics and quantum information. Vol. 85, no. 5 (2012), pp. 052509-052509 [1-7]. - Maryland : American Physical Society, 2012 Kľúč.slová Ab-initio calculations atoms electrons Jazyk dok. angličtina Krajina Spojené štáty Systematika 54 Anotácia We present ab initio calculations of the WA parameter of the P-odd spin-rotational Hamiltonian for a variety of diatomic molecules, including the group 2 and group 12 halides. The results were obtained by relativistic Dirac-Hartree-Fock and density functional theory approaches and corrected for core polarization effects. Strong enhancement of WA is found for the group 12 diatomic halides, which should be helpful in future determination of the nuclear anapole moment Kategória publikačnej činnosti ADC Číslo archívnej kópie 22493 Kategória ohlasu ISAEV, T. A. - BERGER, R. Periodic trends in parity-violating hyperfine coupling constants of open-shell diatomic molecules. In Journal of molecular spectroscopy. ISSN 0022-2852, 2014, vol. 300, pp. 26-30.
SIKARWAR, Manu - NAYAK, Malaya K. - GHOSH, Swapan K. Ab initio calculation of the P-odd interaction constant W-A in YbF : a relativistic configuration-interaction approach. In Journal of physics of B-atomic molecular and optical physics. ISSN 0953-4075, 2013, vol. 46, no. 17, article no. 175102.
ISAEV, T. A. - BERGER, R. Electron correlation and nuclear charge dependence of parity-violating properties in open-shell diatomic molecules. In Physical review A. ISSN 1050-2947, 2012, vol. 86, no. 6, article no. 062515.
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Názov Analysis of parity violation in chiral molecules Súbež.n. Analýza porušení parity v chirálnych molekulách Aut.údaje Radovan Bast ...[et al.] Autor Bast Radovan
Spoluautori Koers Anton
Gomes Andre Severo Pereira
Iliaš Miroslav 1975- UMBFP08 - Katedra chémie
Vischer Lukas
Schwerdtfeger Peter
Saue Trond
Zdroj.dok. Physical Chemistry Chemical Physics. Vol. 13, no. 3 (2011), pp. 864-876. - Cambridge : The Royal Society of Chemistry (RSC), 2013 Poznámka Bibl.: s. 974-876 Kľúč.slová chiralita chirality porušenie parity parity violation relativistické efekty relativistic effects homochiralita homochirality Jazyk dok. angličtina Krajina Veľká Británia Systematika 54 Anotácia Analýza malých energetických rozdielov medzi enantiomérmi v kontexte relativistických efektov. Kategória publikačnej činnosti ADC Číslo archívnej kópie 18034 Kategória ohlasu BARRON, Laurence D. Cosmic chirality both true and false. In Chirality. ISSN 0899-0042, 2012, vol. 24, no. 12, pp. 957-958.
BARRON, Laurence D. From cosmic chirality to protein structure : lord Kelvin's legacy. In Chirality. ISSN 0899-0042, 2012, vol. 24, no. 11, pp. 879-893.
HARA, Takaaki - SENAMI, Masato - TACHIBANA, Akitomo. Electron spin torque in atoms. In Physics letters A. ISSN 0375-9601, 2012, vol. 376, no. 17, pp. 1434-1441.
ARCISAUSKAITE, Vaida - KNECHT, Stefan - SAUER, Stephan P. A. - HEMMINGSEN, Lars. Electric field gradients in Hg compounds: Molecular orbital (MO) analysis and comparison of 4-component and 2-component (ZORA) methods. In Physical chemistry chemical physics. ISSN 1463-9076, 2012, vol. 14, no. 46, pp. 16070-16079.
VIEDMA, Cristobal - CINTAS, Pedro. On the Chiral homogeneity of nature : from atoms to small molecules. In Israel journal of chemistry. ISSN 0021-2148, 2011, vol. 51, no. 10, pp. 997-1006.
BELPASSI, Leonardo - STORCHI, Loriano - QUINEY, Harry M. - TARANTELLI, Francesco. Recent advances and perspectives in four-component Dirac-Kohn-Sham calculations. In Physical chemistry chemical physics. ISSN 1463-9076, 2011, vol. 13, no. 27, pp. 12368-12394.
GONZALO, Isabel - BARGUENO, Pedro. Stabilization of chiral molecules by decoherence and environment interactions in the gas phase. In Physical chemistry chemical physics. ISSN 1463-9076, 2011, vol. 13, no. 38, pp. 17130-17134.
MACHATA, Peter - HERICH, Peter - LUSPAI, Karol - BUCINSKY, Lukas et al. Redox reactions of nickel, copper, and cobalt complexes with "noninnocent" dithiolate ligands : combined in situ spectroelectrochemical and theoretical study. In Organometallics. ISSN 0276-7333, 2014, vol. 33, no. 18, pp. 4846-4859.
PELLONI, Stefano - FAGLIONI, Francesco - LAZZERETTI, Paolo. Parity violation energies of C4H4X2 molecules for X = O, S, Se, Te and Po. In Molecular physics. ISSN 0026-8976, 2013, vol. 111, no. 16-17, pp. 2387-2391.
BARRON, Laurence David. True and false chirality and absolute enantioselection. In Rendiconti lincei-scienze fisiche e naturali. ISSN 2037-4631, 2013, vol. 24, no. 3, pp. 179-189.
PELLONI, Stefano - FAGLIONI, Francesco - LAZZERETTI, Paolo. Chiral discrimination via nuclear magnetic resonance spectroscopy. In Rendiconti lincei-scienze fisiche e naturali. ISSN 2037-4631, 2013, vol. 24, no. 3, pp. 283-289.
MALCEK, Michal - BUCINSKY, Lukas - BISKUPIC, Stanislav - JAYATILAKA, Dylan. The quasirelativistic contact interaction and effective electron and spin densities at the nucleus : a model based on weighting the electron density with the finite Gaussian nucleus model. In Chemical physics letters. ISSN 0009-2614, 2013, vol. 580, pp. 152-159.
WAN, Yong - GEBERT, Florian - WOLF, Fabian - SCHMIDT, Piet O. Efficient sympathetic motional-ground-state cooling of a molecular ion. In Physical review A. ISSN 1050-2947, 2015, vol. 91, no. 4, article no. 043425.
HORNY, Lubos - QUACK, Martin. Computation of molecular parity violation using the coupled-cluster linear response approach. In Molecular physics. ISSN 0026-8976, 2015, vol. 113, no. 13-14, pp. 1768-1779.
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