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A comparison of density functional theory and coupled cluster methods for the calculation of electric dipole polarizability gradients of methane

  1. 1.
    SYSNO0391792
    TitleA comparison of density functional theory and coupled cluster methods for the calculation of electric dipole polarizability gradients of methane
    Author(s) Paidarová, Ivana (UFCH-W) RID, ORCID
    Sauer, S. P. A. (DK)
    Source Title AIP Conference Proceedings, 1504. S. 695-698. - Melville : AIP, 2012
    Conference INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009: (ICCMSE 2009), Rhodes, 29.09.2009-04.10.2009
    Document TypeKonferenční příspěvek (zahraniční konf.)
    Grant IAA100400501 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
    Institutional supportUFCH-W - RVO:61388955
    Languageeng
    CountryUS
    Keywords polarizability derivatives * CH4 * DFT
    Permanent Linkhttp://hdl.handle.net/11104/0220790
     
Number of the records: 1  

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