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

A detailed understanding of radiative and nonradiative processes in peptides containing an
aromatic chromophore requires the knowledge of the nature and energy level of low-lying …

Using recently developed full-dimensional coupled quasi-diabatic ab initio potential energy
surfaces including four electronic (1ππ, 1ππ*, 11πσ*, and 21πσ*) states, the tunneling …

This Perspective addresses the use of coupled diabatic potential energy surfaces (PESs)
together with rigorous quantum dynamics in full or reduced dimensional coordinate spaces …

The excited-state dynamics of phenol following ultraviolet (UV) irradiation have received
considerable interest in recent years, most notably because they can provide a model for …

We report multistate trajectory simulations, including coherence, decoherence, and
multidimensional tunneling, of phenol photodissociation dynamics. The calculations are …

We present an improved version of the anchor points reactive potential (APRP) method for
potential energy surfaces; the improvement for the surfaces themselves consists of using a …

A recently reported algorithm for representing adiabatic states coupled by conical
intersections using a quasi-diabatic state Hamiltonian in four and five atom systems is …

Time-resolved photoelectron imaging was used to investigate the dynamical evolution of the
initially prepared S 1 (ππ*) excited state of phenol (hydroxybenzene), catechol (1, 2 …

Trajectory surface hopping (TSH) methods have been widely used for the study of
nonadiabatic molecular dynamics. In the present work, the accuracy of two TSH algorithms …