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The DIRAC code for relativistic molecular calculations

  1. TitleThe DIRAC code for relativistic molecular calculations
    Author infoTrond Saue, Radovan Bast ... [et al.]
    Author Saue Trond (5%)
    Co-authors 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%)
    Source document The Journal of Chemical Physics. Vol. 152, no. 20 (2020), pp. 204104-1-204104-17. - New York : American Institute of Physics, 2020
    Keywords DIRAC (softvér) - DIRAC (software)   relativistická kvantová chémia   molecular descriptors  
    Form. Descr.články - journal articles
    LanguageEnglish
    CountryUnited States of America
    AnnotationABSTRACT 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
    URLLink na plný text
    Public work category ADC
    No. of Archival Copy47759
    Catal.org.BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici
    Databasexpca - PUBLIKAČNÁ ČINNOSŤ
    ReferencesPERIODIKÁ-Súborný záznam periodika
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Number of the records: 1  

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