Research output per year
Research output per year
Project Details
| Status | Finished |
|---|---|
| Effective start/end date | 1/02/15 → 31/05/18 |
| Links | http://gtr.rcuk.ac.uk/projects?ref=EP/M013111/1 |
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Research output
- 5 Article (Academic Journal)
-
Analytical gradients for projection-based wavefunction-in-DFT embedding
Lee, S., Ding, F., Manby, F. & Miller, T., 9 Aug 2019, (E-pub ahead of print) In: Journal of Chemical Physics. 151, 15 p., 064112 (2019).Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile13 Citations (Scopus)252 Downloads (Pure) -
Projection-Based Wavefunction-in-DFT Embedding
Lee, S. J. R., Welborn, M., Manby, F. R. & Miller, T. F., 21 May 2019, In: Accounts of Chemical Research. 52, 5, p. 1359-1368 10 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile73 Citations (Scopus)233 Downloads (Pure) -
Density-Based Errors in Mixed-Basis Mean-Field Electronic Structure, with Implications for Embedding and QM/MM Methods
Lee, S. J. R., Miyamoto, K., Ding, F., Manby, F. R. & Miller III, T. F., 1 Sep 2017, In: Chemical Physics Letters. 213, 1-3, p. 153-158 8 p.Research output: Contribution to journal › Article (Academic Journal) › peer-review
Open AccessFile4 Citations (Scopus)274 Downloads (Pure)