The past decade has seen explosive growth in experimental and theoretical studies of van
der Waals interactions. Considerable progress has been achieved toward understanding …

This review deals with the relation between intermolecular potentials and the spectra of van
der Waals molecules. Intermolecular potentials cannot be measured directly, but the …

This overview of energy landscapes will focus on some rigorous properties of potential
energy surfaces (PES's), especially the symmetry properties of steepest-descent paths, and …

This book provides a detailed presentation of modern quantum theories for treating the
reaction dynamics of small molecular systems. Its main focus is on the recent development …

Ten stationary points on the water dimer potential energy surface have been characterized
with the coupled-cluster technique which includes all single and double excitations as well …

Mo/ller–Plesset perturbation theory is employed to improve the accuracy of static mean field
computations in molecular vibration problems. This method is a simple and efficient way to …

A new discrete variable representation (DVR) in generalized vibrational coordinates is
proposed together with a new mixed diabatic/adiabatic contraction technique for the …

The interdependence of the description of the internal geometry and the corresponding
kinetic energy operator T̂ is investigated in detail for a general n-atomic molecule. For both …

We report calculations of the electronic ground state potential energy surface (PES) of
hydrogen peroxide covering, in an almost global fashion, all six internal degrees of freedom …

We present the computational methodology, which for the first time allows rigorous twelve-
dimensional (12D) quantum calculations of the coupled intramolecular and intermolecular …