Abstract
The purpose of this contribution is the description
of the progress in theoretical investigations on electronically
excited states in connection with photodynamical simulations
made within the last years and to provide an outlook on the
scope of future applications and challenges. An overview
over excited-state phenomenology is given and the applicability
of different computational methods is discussed. Both
electronic structure- and dynamics methods are considered.
The examples presented comprise the explanation of the
photostability of individual DNA nucleobases, the photodynamics
of DNA including excitonic and charge-transfer
processes, the primary processes of vision and the broad field
of photovoltaics, photodevices, and molecular machines.
Original language | English |
---|---|
Pages (from-to) | 1073 |
Journal | Theor Chem Acc |
State | Published - Jan 11 2012 |