Role of electronic correlations in photoionization of NO2 in the vicinity of the 2A1/2B2 conical intersection

4 years ago

Role of electronic correlations in photoionization of NO2 in the vicinity of the 2A1/2B2 conical intersection

Olga Smirnova, Zdenek Masin, Karel Houfek, Alex G. Harvey, Danilo S. Brambila

We present the first ab initio multi-channel photoionization calculations for NO₂ in the vicinity of the ²A₁/²B₂ conical intersection, for a range of nuclear geometries, using our newly developed set of tools based on the ab initio multichannel R-matrix method.

Publisher URL: http://feeds.rsc.org/~r/rss/CP/~3/jrNHGunqnys/C7CP01643C

DOI: 2017/CP/C7CP01643C

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