Can an ab initio three-body virial equation describe the mercury gas phase?
Wiebke J, Wormit M, Hellmann R, Pahl E, Schwerdtfeger P.
Wiebke J, et al. Among authors: pahl e.
J Phys Chem B. 2014 Mar 27;118(12):3392-400. doi: 10.1021/jp412260a. Epub 2014 Mar 19.
J Phys Chem B. 2014.
PMID: 24547987
The underlying two-body and three-body potentials were fitted to highly accurate Coupled-Cluster interaction energies of Hg2 (Pahl, E.; Figgen, D.; Thierfelder, C.; Peterson, K. A.; Calvo, F.; Schwerdtfeger, P. ...Termwise analysis and comparison to experimental gas …
The underlying two-body and three-body potentials were fitted to highly accurate Coupled-Cluster interaction energies of Hg2 (Pahl, …