Calculations on Complexes, Dimers, Clusters and Excited States

7 Calculations on Complexes, Dimers, Clusters, Excited States. - Mar-oulis has used his finite-field technique to explore the hyperpolarizabilities of the rare gas diatoms Hc2, Nc2, At2 and Kt2 and the interaction hyperpolarizability of hydrogen fluoride with a neon atom. 

Champagne et al. have stressed the importance of the inclusion of three-body effects when interpreting intermolecular interactions in terms of the usual equations involving the polarizability and hyperpolarizabilities. 

Hattig et have made a high level ab initio study of the two-body 

Hohm et al. have calculated the static dipole polarizability of P4 clusters using ab initio finite-field MP and coupled-cluster methods. The results have been compared with frequency-dependent measurements obtained fi-om the gas phase refi active index. 

Korambath and Kama have used ab initio TDHF to investigate the a and P functions for GaN, GaP and GaAs clusters. 

---