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Diagrammatic Coupled Cluster Monte Carlo.
Scott CJC, Di Remigio R, Crawford TD, Thom AJW. Scott CJC, et al. Among authors: thom ajw. J Phys Chem Lett. 2019 Mar 7;10(5):925-935. doi: 10.1021/acs.jpclett.9b00067. Epub 2019 Feb 14. J Phys Chem Lett. 2019. PMID: 30724572
Stochastic coupled cluster theory.
Thom AJ. Thom AJ. Phys Rev Lett. 2010 Dec 31;105(26):263004. doi: 10.1103/PhysRevLett.105.263004. Epub 2010 Dec 28. Phys Rev Lett. 2010. PMID: 21231654
Linked coupled cluster Monte Carlo.
Franklin RS, Spencer JS, Zoccante A, Thom AJ. Franklin RS, et al. J Chem Phys. 2016 Jan 28;144(4):044111. doi: 10.1063/1.4940317. J Chem Phys. 2016. PMID: 26827206 Free article.
The HANDE-QMC Project: Open-Source Stochastic Quantum Chemistry from the Ground State Up.
Spencer JS, Blunt NS, Choi S, Etrych J, Filip MA, Foulkes WMC, Franklin RST, Handley WJ, Malone FD, Neufeld VA, Di Remigio R, Rogers TW, Scott CJC, Shepherd JJ, Vigor WA, Weston J, Xu R, Thom AJW. Spencer JS, et al. Among authors: thom ajw. J Chem Theory Comput. 2019 Mar 12;15(3):1728-1742. doi: 10.1021/acs.jctc.8b01217. Epub 2019 Feb 18. J Chem Theory Comput. 2019. PMID: 30681844 Free article.
Multireference Stochastic Coupled Cluster.
Filip MA, Scott CJC, Thom AJW. Filip MA, et al. Among authors: thom ajw. J Chem Theory Comput. 2019 Dec 10;15(12):6625-6635. doi: 10.1021/acs.jctc.9b00741. Epub 2019 Nov 22. J Chem Theory Comput. 2019. PMID: 31697497
55 results