DOE OSTI · 1550021
Analytical gradients for projection-based wavefunction-in-DFT embedding
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Lee, Sebastian J. R., Ding, Feizhi, Manby, Frederick R., Miller, III, Thomas F.. 2019-08-14. Analytical gradients for projection-based wavefunction-in-DFT embedding. https://doi.org/10.1063/1.5109882
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