The global minimum on the water trimer potential energy surface has been investigated by
means of second-order Mo” ller-Plesset (MP2) perturbation theory employing the series of …

Water dimer and the cyclic trimer and tetramer are calculated using the Hartree− Fock (HF),
second-order Møller− Plesset (MP2), and two density functional theory (DFT) methods …

Although the first ab initio Hartree–Fock computations of the water dimer were reported more
than four decades ago, the detailed characterization of water clusters with sophisticated …

We have tested the ability of two new model potentials constructed using intermolecular
perturbation theory methods to reproduce ab initio results at a comparable level of theory …

A six-dimensional interaction potential for the water dimer has been fitted to ab initio
interaction energies computed at 2510 dimer configurations. These energies were obtained …

We describe a full-dimensional, flexible potential energy surface for arbitrary numbers of
water monomers built from ab initio 2-and 3-body potentials. These potentials are each …

The water molecule including water clusters has been one of the most extensively studied
species in ab initio calculations. 1–24 It is not only because the water molecule is very …

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 …

A potential energy surface for the water dimer with explicit dependence on monomer
coordinates is presented. The surface was fitted to a set of previously published interaction …

Six cyclic stationary points on the water trimer potential energy surface have been fully
optimized at the MP2 level with the aug-cc-pVQZ basis set. In agreement with previous work …