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Efficient implementations of analytic energy gradient for mixed-reference spin-flip time-dependent density functional theory (MRSF-TDDFT)
Lee, Seunghoon, Kim, Emma Eunji, Nakata, Hiroya, Lee, Sangyoub, Choi, Cheol HoVolume:
150
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.5086895
Date:
May, 2019
File:
PDF, 1.45 MB
2019