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Author: Smirnova, Olga × Publisher: Bristol : IOP Publ. × Subject: R-matrix method × WGL Institute: MBI ×

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    NO2molecular frame photoelectron angular distributions for a range of geometries using the R-matrix method
    (Bristol : IOP Publ., 2015) Brambila, Danilo S.; Harvey, Alex G.; Mašín, Zdeněk; Smirnova, Olga
    We present R-matrix calculations of photoionization from NO2, resolved in energy, angle, and both neutral and ionic state, for a range of molecular geometries, including in the vicinity of the 2A1/2B2 conical intersection.
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    Recent developments in R-matrix applications to molecular processes
    (Bristol : IOP Publ., 2015) Mašín, Zdeněk; Harvey, Alex; Houfek, Karel; Brambila, Danilo S.; Morales, Felipe; Gorfinkiel, Jimena D.; Tennyson, Jonathan; Smirnova, Olga
    We report on recent developments of the UKRmol suite, an implementation of the molecular R- matrix method and present examples of the calculations (e.g. electron scattering, photoionization, high harmonic generation, etc.) it has enabled.