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    • Theory of molecular photoionization and its applications

    Daniele Toffoli,Nicola Quadri,Piero Decleva

    semanticscholar（2017）

    Cited 0|Views0
    Abstract
    Synopsis An overview of density functional theory based methods for the description of molecular continuum states is presented along with specific recent applications involving the calculation of photoelectron angular distributions and vibrationally-resolved cross section. We then introduce a stable and general close-coupling multichannel algorithm and provide sample applications of an initial implementation.
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