| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1235076 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2013 | 10 Pages |
Abstract
⺠Convergence is observed with the basis sets and level of theory. ⺠Effect on the PECs by core-valence correlation and relativistic corrections is included. ⺠SO coupling effect is discussed. ⺠PECs are extrapolated to the CBS limit. ⺠Spectroscopic parameters of seven Î-S and 17 Ω states are obtained.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
Hui Liu, Deheng Shi, Jinfeng Sun, Zunlue Zhu,