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Performance Analysis and Optimization of Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory (MRSF-TDDFT) for Vertical Excitation Energies and Singlet-Triplet Energy Gaps

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Description scientific article published on 05 September 2019
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author: Cheol Ho Choi  Seunghoon Lee  Michael Filatov 

Publication date September 5, 2019
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