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

The water dimer has been the most often used hydrogenbond system for comparing theory
with experiment see Ref. 1 for a recent review of ab initio calculations on the water dimer. In …

We present accurate potential energy surfaces for Ar-HF, Ar-H20, and Ar-NH3 from the
supermolecular calculations using M611er-Plesset perturbation theory up to the complete …

Intermolecular potentials determine the physical and chemical properties of matter. Quantum
mechanical calculation based on ab initio molecular orbital theory has overcome many …

Two polarizable six-dimensional water dimer intermolecular potential surfaces have been
determined by fitting the distributed multipole ASP (anisotropic site potential) potential form …

Two potential energy surfaces for CO2–Ar are obtained by least‐squares fitting to the high‐
resolution spectra of Van der Waals complexes and the second virial coefficients of Ar+ CO2 …

A two‐dimensional intermolecular potential energy surface for Ar–HF has been calculated
using the many‐body symmetry‐adapted perturbation theory (SAPT). The H–F distance was …

The methodsneeded tocarry out calculations on the bound states of atom-molecule Van der
Waals complexes containing atoms in P states are presented. Both close-coupling and …

Oligomeric aggregates of hydrogen fluoride are important prototype molecules for a detailed
understanding of the structure, energetics, spectroscopy and dynamics of hydrogen …

Abstract The Contracted Schrödinger Equation is studied here in a spin-orbital
representation coupled with the Ŝ 2 eigenvalue equation as an auxiliary condition. A set of …