Check out Yinan and Scott’s new paper in Nano Letters presenting conical intersections in three defective nanoparticles (1.3 nm in diameter) computed at a fully ab initio, multireference level of theory. This work was made possible by our GPU implementation of CASCI, which will be described in a forthcoming paper.
Conical Intersections in Nanoparticles!
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Levine Research Group at Stony Brook University 