A Simplified Spin-Flip Time-Dependent Density Functional Theory Approach for the Electronic Excitation Spectra of Very Large Diradicals
Abstract
- Publication:
-
Journal of Physical Chemistry A
- Pub Date:
- July 2019
- DOI:
- 10.1021/acs.jpca.9b03176
- Bibcode:
- 2019JPCA..123.5815D