Browsing by Subject "PHOTOISOMERIZATION"
Now showing items 1-2 of 2
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(American Physical Society, 2008)A simple formula is obtained for coupling electrons in a complex system to the electromagnetic field. It includes the effect of intra-atomic excitations and nuclear motion, and can be applied in, e.g., first-principles-based ...
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(2009-05-15)This dissertation describes a tight-binding technique that treats the dynamics of electrons and ions simultaneously. The main features are a generalized Hellmann- Feynman theorem, a standard, time-dependent, self-consistent-field ...