Browsing Kjemisk institutt by Author "Johnson, Andrew G"

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  • An Embedded Fragment Method for Molecules in Strong Magnetic Fields 
    Speake, Benjamin T.; Irons, Tom JP; Wibowo, Meilani; Johnson, Andrew G; David, Grégoire; Teale, Andrew Michael (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2022)
    An extension of the embedded fragment method for calculations on molecular clusters is presented, which includes strong external magnetic fields. The approach is flexible, allowing for calculations at the Hartree–Fock, ...