Electron nuclear dynamics intramolecular transfer

Boltzmann distribution, electron nuclear dynamics (END), intramolecular electron transfer, 350-351... 

Wigner rotation/adiabatic-to-diabatic transformation matrices, 92 Electronic structure theory, electron nuclear dynamics (END) structure and properties, 326-327 theoretical background, 324-325 time-dependent variational principle (TDVP), general nuclear dynamics, 334-337 Electronic wave function, permutational symmetry, 680-682 Electron nuclear dynamics (END) degenerate states chemistry, xii-xiii direct molecular dynamics, structure and properties, 327 molecular systems, 337-351 final-state analysis, 342-349 intramolecular electron transfer,... 

Intraanchor reactions, conical intersection, two-state systems, 437-438 Intramolecular electron transfer, electron nuclear dynamics (END), 349-351 Intrinsic reaction coordinate (IRC), direct molecular dynamics, theoretical background, 358-361... 

The most important point to note is that the electron-transfer process can be purely electronic. There are no nuclear motions required to sample the continuum states such that there is no fundamental limit (apart from defining the initial state) to the electron-transfer dynamics. This finding is in contrast to electron transfer to localised molecular states (Section 2.3.5). In this latter case, the solvent or intramolecular relaxation process dictates the rate of passage into the product channel. 

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