Accurate and efficient DFT-based diabatization for hole and electron transfer using absolutely localized molecular orbitals
- Award ID(s):
- 1652960
- Publication Date:
- NSF-PAR ID:
- 10122148
- Journal Name:
- The Journal of Chemical Physics
- Volume:
- 151
- Issue:
- 16
- Page Range or eLocation-ID:
- Article No. 164114
- ISSN:
- 0021-9606
- Publisher:
- American Institute of Physics
- Sponsoring Org:
- National Science Foundation
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