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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: neufeld va. Faraday Discuss. 2024 Nov 6;254(0):191-215. doi: 10.1039/d4fd90041c. Faraday Discuss. 2024. PMID: 39378043 No abstract available.
Correlation in extended systems: general discussion.
Alavi A, Atalar K, Berkelbach TC, Booth GH, Chan GK, Evangelista FA, Goldzak T, Grüneis A, Harsha G, Kapil V, Knowles P, Lepetit MB, Liebert J, Nejad A, Neufeld VA, Novoa T, Pernal K, Plasser F, Rehman U, Shi BX, Tew DP, Wang Z, Mejuto-Zaera C, Zgid D, Zhu A, Zhu T, Zwijnenburg MA. Alavi A, et al. Among authors: neufeld va. Faraday Discuss. 2024 Nov 6;254(0):682-707. doi: 10.1039/d4fd90044h. Faraday Discuss. 2024. PMID: 39400722 No abstract available.
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: neufeld va. 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: neufeld va. 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.
Large scale parallelization in stochastic coupled cluster.
Spencer JS, Neufeld VA, Vigor WA, Franklin RST, Thom AJW. Spencer JS, et al. Among authors: neufeld va. J Chem Phys. 2018 Nov 28;149(20):204103. doi: 10.1063/1.5047420. J Chem Phys. 2018. PMID: 30501245 Free article.
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