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"How accurate are TD-DFT excited-state geometries compared to DFT ..."
Jun Wang, Bo Durbeej (2020)
- Jun Wang, Bo Durbeej:
How accurate are TD-DFT excited-state geometries compared to DFT ground-state geometries? J. Comput. Chem. 41(18): 1718-1729 (2020)
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