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Autor: Cardamone, S, Kimmitt, JRR, Burton, HGA, Todman, TJ, Li, S, Luk, W, Thom, AJW

Massively parallel architectures offer the potential to significantly accelerate an application relative to their serial counterparts. However, not all applications exhibit an adequate level of data and/or task parallelism to exploit such platforms.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::63b748ef2212aa58c89b2c094b193635
https://www.repository.cam.ac.uk/handle/1810/288200

Novel perturbative and variational methods for stronger correlations: general discussion.

Autor: 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

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JCTC Early Career Board Selects.

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Can GW handle multireference systems?

Autor: Ammar A; Laboratoire de Chimie et Physique Quantiques (UMR 5626), Université de Toulouse, CNRS, UPS, Toulouse, France., Marie A; Laboratoire de Chimie et Physique Quantiques (UMR 5626), Université de Toulouse, CNRS, UPS, Toulouse, France., Rodríguez-Mayorga M; Université Grenoble Alpes, CNRS, Institut NEEL, F-38042 Grenoble, France., Burton HGA; Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom., Loos PF; Laboratoire de Chimie et Physique Quantiques (UMR 5626), Université de Toulouse, CNRS, UPS, Toulouse, France.

Publikováno v: The Journal of chemical physics [J Chem Phys] 2024 Mar 21; Vol. 160 (11).

Excited States, Symmetry Breaking, and Unphysical Solutions in State-Specific CASSCF Theory.

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