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Chemical Quantum Images on
Tue 25th Jan 11My new paper just became available online (DOI: 10.1063/1.3526697). The purpose was to present and test an ab-initio approach to simulate charge transfer dynamics. Aside from that we discuss some of the theory behind it and how it applies to direct non-adiabatic...

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Thu 23rd Feb 12I played around a little bit with visualization of charge transfer dynamics. And I think it looks kind of cool. The video is related to the one shown here (the background is described here and in this paper). But now I am directly plotting the singly occupied...