Excitation energies of some d 1 systems calculated using time-dependent density functional theory: an implementation of open-shell TDDFT theory for doublet–doublet excitations
- 期刊名称Molecular Physics
- 作者Wang, Fan; Ziegler *, Tom
- 卷第102卷
- 印刷ISSN0026-8976
- 电子ISSN1362-3028
- 文件大小183.99KB
- 发表时间2004-12-10
- DOI10.1080/0026897042000275080
- 页码2585-2595
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