Interactions of ThO(X) with He, Ne and Ar from the ab initio coupled cluster and symmetry adapted perturbation theory calculations

Article ID	Journal	Published Year	Pages	File Type
5374460	Chemical Physics	2012	9 Pages	PDF

Abstract

âº CCSD(T): ThO-RG - floppy van der Waals complexes with bent equilibrium structure. âº Rovibrational energy levels: spatial RG localization decreases from He to Ar. âº SAPT qualitative: delicate balance between exchange and dispersion forces. âº SAPT quantitative: problems with intramonomer correlation and core potentials. âº Long-range interactions: peculiar reduction of the dispersion anisotropy.

Keywords

Thorium oxide Intermolecular interactions van der Waals complexes

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

Preview

Interactions of ThO(X) with He, Ne and Ar from the ab initio coupled cluster and symmetry adapted perturbation theory calculations

Authors

Elvira R. Sayfutyarova, Alexei A. Buchachenko, Michal Hapka, MaÅgorzata M. SzczÄÅniak, Grzegorz ChaÅasiÅski,