|
|||||
|
|
Choosing a proper complete active space in calculations for transition metal dimers: ground state of Mn2 revisited |
|
| Authors: | Camacho Cristopher Yamamoto Shigeyoshi Witek Henryk A |
| Affiliation: | Institute of Molecular Science and Department of Applied Chemistry, National Chiao Tung University, 1001 Ta-Hsueh Road, Hsinchu, 30010, Taiwan. hwitek@mail.nctu.edu.tw. |
| Abstract: | |
| Keywords: | |
| 本文献已被 PubMed 等数据库收录！ | |