Understanding the properties of electronically excited states is a challenging task that
becomes increasingly important for numerous applications in chemistry, molecular physics …

Singlet fission is a photophysical reaction in which a singlet excited electronic state splits
into two spin-triplet states. Singlet fission was discovered more than 50 years ago, but the …

Nonadiabatic effects are ubiquitous in photophysics and photochemistry, and therefore,
many theoretical developments have been made to properly describe them. Conical …

We present a current, up-to-date review of the surface hopping methodology for solving
nonadiabatic problems, 25 years after Tully published the fewest switches surface hopping …

Photodissociation induced by the absorption of single photons permits the detailed study of
molecular dynamics such as the breaking of bonds, internal energy transfer and …

General formalism of absorption and emission spectra, and of radiative and nonradiative
decay rates are derived using a thermal vibration correlation function formalism for the …

Multireference electron correlation methods describe static and dynamical electron
correlation in a balanced way and, therefore, can yield accurate and predictive results even …

Trajectory surface hopping (TSH) is a widely used mixed quantum-classical dynamics
method that is used to simulate molecular dynamics with multiple electronic states. In TSH …

1. General Aspects 2. Normal-Mode Taylor Expansion 3. A Model of Nonadiabatic
Photoisomerization III. Time-Dependent Methodology A. Representation of the State Vector …

A new algorithm for the computation of the overlap between many-electron wave functions is
described. This algorithm allows for the extensive use of recurring intermediates and thus …