The scope of this review is the nature and dynamics of the singlet excited electronic states
created in nucleic acids and their constituents by UV light. Interest in the UV photochemistry …

A detailed understanding of the properties of electronic excited states and the reaction
mechanisms that molecules undergo after light irradiation is a fundamental ingredient for …

In this chapter, the authors discuss their recent development of the ab initio multiple
spawning (AIMS) method which solves the elecronic and nuclear Schrödinger equations …

It is customary1 to analyze a chemical process as a series of several elementary reaction
steps. In every elementary step, a transformation takes place from one minimum on the …

In this paper we use ab initio multiconfigurational second-order perturbation theory to
establish the intrinsic photoisomerization path model of retinal chromophores. This is …

The ab initio multiple spawning (AIMS) method has been developed to solve the electronic
and nuclear Schrodinger equations simultaneously for application to photochemical reaction …

We have used extended basis sets and configuration interaction wave functions to
systematically characterize the excited state potential energy surfaces of ethylene, including …

We use ab initio results to reparameterize a multi-reference semiempirical method to
reproduce the ground and excited state potential energy surfaces (PESs) for the …

We have developed the technique of femtosecond stimulated Raman spectroscopy (FSRS),
which allows the rapid collection of high-resolution vibrational spectra on the femtosecond …

Despite its importance, state-of-the-art algorithms for performing complete active space self-
consistent field (CASSCF) computations have lagged far behind those for single reference …