Analytical gradients for projection-based wavefunction-in-DFT embedding

Sebastian Lee, Feizhi Ding, Fred Manby, Thomas Miller

Research output: Contribution to journal › Article (Academic Journal) › peer-review

13 Citations (Scopus)

252 Downloads (Pure)

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Finished
Embedded mean-field theory: chemical simulation in complex environments
Manby, F. R.
1/02/15 → 31/05/18
Project: Research