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Acceleration of relativistic electron dynamics by means of X2C transformation: Application to the calculation of nonlinear optical properties

  1. TitleAcceleration of relativistic electron dynamics by means of X2C transformation: Application to the calculation of nonlinear optical properties
    Author Konečný Lukáš
    Co-authors Kádek Marius

    		Komorovský Stanislav 1982    ORCID

    		Malkina Oľga 1956 SAVANOCH - Ústav anorganickej chémie SAV    ORCID

    		Ruud Kenneth

    		Repiský Michal

    Source document Journal of Chemical Theory and Computation. Vol. 12, no. 12 (2016), p. 5823-5833
    Languageeng - English
    CountryUS - United States of America
    Document kindrozpis článkov z periodík (rbx)
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    SUN, Shichao - LI, Xiaosong. Relativistic Effects in Magnetic Circular Dichroism: Restricted Magnetic Balance and Temperature Dependence. In JOURNAL OF CHEMICAL THEORY AND COMPUTATION. ISSN 1549-9618, 2020, vol. 16, no. 7, pp. 4533-4542. Dostupné na: https://doi.org/10.1021/acs.jctc.0c00287.
    HU, Hang - JENKINS, Andrew J. - LIU, Hongbin - KASPER, Joseph M. - FRISCH, Michael J. - LI, Xiaosong. Relativistic Two-Component Multireference Configuration Interaction Method with Tunable Correlation Space. In JOURNAL OF CHEMICAL THEORY AND COMPUTATION. ISSN 1549-9618, 2020, vol. 16, no. 5, pp. 2975-2984. Dostupné na: https://doi.org/10.1021/acs.jctc.9b01290.
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    KASPER, Joseph M. - GAMELIN, Daniel R. - LI, Xiaosong. Theoretical investigation of quantum confinement on the Rashba effect in ZnO semiconductor nanocrystals. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2020, vol. 152, no. 1, pp. Dostupné na: https://doi.org/10.1063/1.5128355.
    POTOTSCHNIG, Johann - DYALL, Kenneth G. - VISSCHER, Lucas - GOMES, Andre Severo Pereira. Electronic spectra of ytterbium fluoride from relativistic electronic structure calculations. In PHYSICAL CHEMISTRY CHEMICAL PHYSICS. ISSN 1463-9076, 2021, vol. 23, no. 39, pp. 22330-22343. Dostupné na: https://doi.org/10.1039/d1cp03701c.
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    CategoryADCA - Scientific papers in foreign journals registered in Current Contents Connect with IF (impacted)
    Category of document (from 2022)V3 - Vedecký výstup publikačnej činnosti z časopisu
    Type of documentčlánok
    Year2016
    Registered inWOS
    Registered inSCOPUS
    Registered inCCC
    DOI 10.1021/acs.jctc.6b00740
    article

    article

    File nameAccessSizeDownloadedTypeLicense
    Acceleration of Relativistic Electron Dynamics by Means of X2C Transformation _ Application to the Calculation of Nonlinear Optical Properties.pdfNeprístupný/archív520.7 KB0Publisher's version
    rokCCIFIF Q (best)JCR Av Jour IF PercSJRSJR Q (best)CiteScore
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    rok vydaniarok metrikyIFIF Q (best)SJRSJR Q (best)
    201620155.301Q12.702Q1
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