We review progress in neural network (NN)-based methods for the construction of
interatomic potentials from discrete samples (such as ab initio energies) for applications in …

We review recent progress in developing potential energy and dipole moment surfaces for
polyatomic systems with up to 10 atoms. The emphasis is on global linear least squares …

The nature of the intermolecular forces between water molecules is the same in small
hydrogen-bonded clusters as in the bulk. The rotational spectra of the clusters therefore give …

The theory of intermolecular forces has advanced very greatly in recent years. It has become
possible to carry out accurate calculations of intermolecular forces for molecules of useful …

Since we intend to review experimental and theoretical studies of physicochemical
processes occurring on cosmic dust grains in very cold regions in space, we start with a brief …

Over the past decade, about 50 potential energy surfaces (PESs) for polyatomics with 4–11
atoms and for clusters have been calculated using the permutationally invariant polynomial …

We report full-dimensional, ab initio potential energy and dipole moment surfaces, denoted
PES and DMS, respectively, for arbitrary numbers of water monomers. The PES is a sum of 1 …

The bond dissociation energy (D 0) of the water dimer is determined by using state-to-state
vibrational predissociation measurements following excitation of the bound OH stretch …

] to the calculation of IR spectra of the intramolecular modes of water clusters. We use a
quantum approach that begins with a partitioned normal-mode analysis of perturbed …

We report three modifications to recent ab initio, full-dimensional potential energy surfaces
(PESs) for the water dimer [X. Huang et al, J. Chem. Phys. 128, 034312 (2008)]. The first …