Title: INTERMOLECULAR INTERACTIONS OF (H<sub>2</sub>O)<sub>2</sub>
Abstract: We report optimal structures, interaction energies and interaction induced dipole moments and polarizabilities for the van der Waals complex (H2O)2 He. Relying on Moller-Plesset perturbation theory with large, carefully optimized basis sets we have located the most stable configuration while the corresponding interaction energies were computed using coupled-cluster techniques. The potential energy surface (PES) of the complex has been determined using the MP2 method. The dependence of the calculated interaction properties on the basis set is also studied.
Publication Year: 2003
Publication Date: 2003-08-01
Language: en
Type: article
Indexed In: ['crossref']
Access and Citation
AI Researcher Chatbot
Get quick answers to your questions about the article from our AI researcher chatbot