We present a finite temperature quantum mechanical study of the dynamical and structural properties of small (4)He(N)-CO(2) clusters (N< or =17) using a path integral Monte Carlo (PIMC) method. Theâ€¦ (More)

A new four-dimensional ab initio potential energy surface for N(2)O-He is constructed at the CCSD(T) level with an aug-cc-pVQZ basis set together with bond functions. The vibrational coordinates Q(1)â€¦ (More)

We report finite temperature quantum mechanical simulations of structural and dynamical properties of Ar(N)-CO(2) clusters using a path integral Monte Carlo algorithm. The simulations are based on aâ€¦ (More)

A six-dimensional ab initio potential energy surface (PES) for H2-N2O which explicitly includes the symmetric and asymmetric vibrational coordinates Q1 and Q3 of N2O is calculated at theâ€¦ (More)