Výsledky vyhľadávania
Názov Systematic study and uncertainty evaluation of P, T-odd molecular enhancement factors in BaF Aut.údaje Pi A. B. Haase, Diewertje J. Doeglas ... [et al.] Autor Haase Pi A. B. (5%)
Spoluautori 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%)
Zdroj.dok. The Journal of Chemical Physics. Vol. 155, no. 3 (2021), pp. [034309-1-034309-14]. - New York : American Institute of Physics, 2021 Kľúč.slová BaF dipólový moment elektrónové vlastnosti Form.deskr. články - journal articles Jazyk dok. angličtina Krajina Spojené štáty Anotácia 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 Kategória publikačnej činnosti ADC Číslo archívnej kópie 50734 Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika 
článok
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 článok
Názov Hyperfine structure constants on the relativistic coupled cluster level with associated uncertainties Aut.údaje Pi A. B. Haase, Ephraim Eliav ... [et al.] Autor Haase Pi A. B. (20%)
Spoluautori Eliav Ephraim (10%)
Iliaš Miroslav 1975- (60%) UMBFP08 - Katedra chémie
Borschevsky Anastasia (10%)
Zdroj.dok. The Journal of Physical Chemistry A. Vol. 124, no. 16 (2020), pp. 3157-3169. - Washington : The American Chemical Society, 2020 Kľúč.slová relativistická metóda spriahnutých klastrov atómové konštanty štiepenie Form.deskr. články - journal articles Jazyk dok. angličtina Krajina Spojené štáty Anotácia 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 Kategória publikačnej činnosti ADC Číslo archívnej kópie 47744 Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika 
nerozpoznaný
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 nerozpoznaný
Názov Relativistic calculations of fine atomic constants Aut.údaje Miroslav Iliaš, A. Borschevsky Autor Iliaš Miroslav 1975- (80%) UMBFP08 - Katedra chémie
Spoluautori Borschevsky Anastasia (20%)
Zdroj.dok. CESTC 2014 : Central European symposium on theoretical chemistry : book of abstracts : 21-25 September 2014, Nagybörzsöny, Hungary. S. 37. - Budapešť : Connections 2000 KFT, 2014 ; CESTC 2014 stredoeurópske sympózium Kľúč.slová kvantovochemické metódy atómové konštanty atomic constants Jazyk dok. angličtina Krajina Maďarsko Systematika 54 Anotácia It is known that nuclear-spin-dependent (NSD) parity-violating (PV) effects can be strongly enhanced in diatomic molecules containing heavy atoms. Therefore heavy diatomic molecules are very good candidates for the successful measurement of the nuclear anapole moment, which is the dominant NSD parity violation term in heavy elements. URL http://www.cestc2014.conn2000.hu/uploads/CESTC%20Book%20of%20Abstracts_final.pdf Kategória publikačnej činnosti AFG Číslo archívnej kópie 32649 Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ nerozpoznaný
Názov Theoretical predictions of properties and volatility of chlorides and oxychlorides of group-4 elements. I. Electronic structures and properties of MCl4 and MOCl2 (M = Ti, Zr, Hf, and Rf) Súbež.n. Teoretické predpovede vlastností a prchavosti chloridov a oxychloridov z prvkov 4.skupiny I. Elektrónové štruktúry a vlastnosti MCl4 a MOCl4 (M = Ti, Zr, Hf, and Rf) Aut.údaje V. Pershina, A. Borschevsky, M. Iliaš Autor Pershina Valeria (30%)
Spoluautori Borschevsky Anastasia (30%)
Iliaš Miroslav 1975- (40%) UMBFP08 - Katedra chémie
Zdroj.dok. The Journal of Chemical Physics. Vol. 141, no. 6 (2014), pp. 064314-064314 [1-8]. - New York : American Institute of Physics, 2014 Kľúč.slová relativistické výpočty metóda funkcionálu hustoty correlated relativistic calculations density functional method Jazyk dok. angličtina Krajina Spojené štáty Systematika 52 Anotácia Relativistic, infinite order exact two-component, density functional theory electronic structure calculations were performed for MCl4 and MOCl2 of group-4 elements Ti, Zr, Hf, and element 104, Rf, with the aim to predict their behaviour in gas-phase chromatography experiments. RfCl4 and RfOCl2 were shown to be less stable than their lighter homologs in the group, tetrachlorides and oxychlorides of Zr and Hf, respectively. The oxychlorides turned out to be stable as a bent structure, though the stabilization energy with respect to the flat one (C 2v) is very small. The trend in the formation of the tetrachlorides from the oxychlorides in group 4 is shown to be Zr < Hf < Rf, while the one in the formation of the oxychlorides from the chlorides is opposite. All the calculated properties are used to estimate adsorption energy of these species on various surfaces in order to interpret results of gas-phase chromatography experiments, as is shown in Paper II Kategória publikačnej činnosti ADC Číslo archívnej kópie 30580 Kategória ohlasu RUSAKOVA, Irina L. - RUSAKOV, Yurii Yu - KRIVDIN, Leonid B. Theoretical grounds of relativistic methods for calculation of spin spin coupling constants in nuclear magnetic resonance spectra. In Russian chemical reviews. ISSN 0036-021X, 2016, vol. 85, no. 4, pp. 356-426.
Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika nerozpoznaný
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.
Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika nerozpoznaný
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.
Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika nerozpoznaný
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.
Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika nerozpoznaný