A Simplified Spin-Flip Time-Dependent Density Functional Theory (SF-sTD-DFT) Approach for the Electronic Excitation Spectra of Very Large Diradicals
de Wergifosse, Marc; Bannwarth, Christoph; Grimme, Stefan
- 期刊名称The Journal of Physical Chemistry A
- 作者de Wergifosse, Marc; Bannwarth, Christoph; Grimme, Stefan
- 印刷ISSN1089-5639
- 电子ISSN1520-5215
- 文件大小4508.90KB
- 发表时间2019-06-14
- DOI10.1021/acs.jpca.9b03176