Quantum mechanical methods are employed to
carry out research in molecular physics and computational chemistry.
Large-scale ab initio configuration interaction methods as well as advanced
theoretical methods developed by the group (complex coordinate rotation
methods, multi-channel quantum defect theory), are employed to study various
processes in excited electronic states and highly excited electronic states of
small molecules and excimers, including spectral perturbations, predissociation
and vibrational autoionization.
The results of these high-quality
computations are related to spectroscopy, astrophysics and the chemistry of the
interstellar space and upper atmosphere. Development of advanced methods by
our group was necessary for investigations of structure and processes in
excited and highly excited states of small molecules, including
photodissociation, vibrational predissociation and dissociative recombination.
