| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5381727 | Chemical Physics Letters | 2013 | 34 Pages |
Abstract
- A polarization function independent ground state (triplet) in a single carbon defect case.
- A polarization function dependent ground state (triplet vs quintet) in a double carbon defect case.
- Polarization function caused s and p contribution changes and thus the strong basis set effect.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Minsi Xin, Xing Dai, Bolong Huang, Yan Meng, Wei Feng, Mingxing Jin, Zhigang Wang, Rui-Qin Zhang,