PowerPoint Presentationiopenshell.usc.edu/chem545/lectures2010/Lecture2.pdfTSI Loc DC Loc TS2 26.9...
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Transcript of PowerPoint Presentationiopenshell.usc.edu/chem545/lectures2010/Lecture2.pdfTSI Loc DC Loc TS2 26.9...
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Adiabatic states and wave function evolution: understanding the derivative term
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Homework: Why non-adiabatic transitions are more likely to occur when the PESs are close?
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http://www.ch.ic.ac.uk/robb/electron_transfer.php
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On the importance of non-adiabatic effects
Barriers differ by 0.4 eV, but the ratio is 1:0.4 in favor of the channel with the HIGHER barrier
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Stationary points on PES and relation to chemistry
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Rydberg
Dynamics on multiple surfaces in the NO dimer: Break down of Adiabatic approximation
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