Condensed matter molecular charge transfer

In conclusion, molecular charge transfer concepts and theory such as overviewed above and much more comprehensively in refs. 28,62,63,68 broadly frame proton and hydrogen atom transfer in biological systems and in interfacial bioelectrochemistry. Highly challenging incorporation of all the composite physical system properties, however, approach the boundaries of present state-of-the-art in condensed matter chemical rate theory. 

In the condensed-matter physics community, the Bethe-Salpeter equation (BSE) applied within the GW approximation (see, e.g., references [17-19]) is often considered as the most successful approach to overcome the limitations of TDDFT. Although it has been often used to describe excitons (bound electron-hole pair) in periodic systems, it is also increasingly applied to calculations of excitation energies in finite molecular systems. - " In particular, the BSE approach is believed to give accurate charge-transfer excitation energies in molecules, and when used with a frequency-dependent kernel, it is in principle capable of describing double excitations. ... 

Intramolecular electron transfer is currently the subject of much experimental and theoretical studies, due to its wide occurence in diverse fields of chemistry, physics and biology. From a fundamental point of view, it is one of the simplest conceivable chemical reactions. Its study in discrete molecular species is a very active research topic and could lead to a better understanding of the process of charge migration in condensed matter. This studies are performed on chemical systems containing two redox sites linked by some kind of bridge. In addition to their interest for fundamental research, such systems can be considered as precursors of molecular" electronic devices. ... 

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