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Page 1
Novel perturbative and variational methods for stronger correlations: general discussion.
Abraham V, Atalar K, Berard KO, Booth GH, Burton HGA, Chan GK, Evangelista FA, Filip MA, Giner E, Gunasekera A, Knowles PJ, Lepetit MB, Liao K, Loos PF, Magnusson E, Mayhall NJ, Mejuto-Zaera C, Neese F, Neufeld VA, Ntola P, Plasser F, Ravindran V, Schilling C, Scuseria G, Shee J, Shi BX, Tew DP, Thom AJW, Wang Z, Zgid D. Abraham V, et al. Among authors: filip ma. Faraday Discuss. 2024 Nov 6;254(0):191-215. doi: 10.1039/d4fd90041c. Faraday Discuss. 2024. PMID: 39378043 No abstract available.
Multireference Stochastic Coupled Cluster.
Filip MA, Scott CJC, Thom AJW. Filip MA, et al. 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
Stochastic and low-scaling techniques: general discussion.
Alavi A, Allen M, Atalar K, Berkelbach TC, Booth GH, Burton HGA, Chan GK, Craciunescu L, Danilov D, Dobrautz W, Evangelista FA, Filip MA, Giner E, Greene-Diniz G, Grüneis A, Guo Y, Harsha G, Ibrahim B, Kapil V, Kats D, Knowles PJ, Lepetit MB, Liao K, Li Manni G, Loos PF, Magnusson E, Marie A, Mejuto-Zaera C, Neese F, Nejad A, Neufeld VA, Pernal K, Plasser F, Prentice AW, Ravindran V, Rehman U, Reiher M, Schilling C, Scuseria G, Shee J, Shi BX, Szenes K, Tew DP, Thom AJW, Wang Z, Zgid D, Zhu A, Zwijnenburg MA. Alavi A, et al. Among authors: filip ma. Faraday Discuss. 2024 Nov 6;254(0):451-499. doi: 10.1039/d4fd90042a. Faraday Discuss. 2024. PMID: 39404254 No abstract available.
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: filip ma. 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.