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Page 1
Concept of Orbital Entanglement and Correlation in Quantum Chemistry.
Ding L, Mardazad S, Das S, Szalay S, Schollwöck U, Zimborás Z, Schilling C. Ding L, et al. Among authors: schilling c. J Chem Theory Comput. 2021 Jan 12;17(1):79-95. doi: 10.1021/acs.jctc.0c00559. Epub 2020 Dec 2. J Chem Theory Comput. 2021. PMID: 33430597
What can quantum information theory offer to quantum chemistry?
Aliverti-Piuri D, Chatterjee K, Ding L, Liao K, Liebert J, Schilling C. Aliverti-Piuri D, et al. Among authors: schilling c. Faraday Discuss. 2024 Nov 6;254(0):76-106. doi: 10.1039/d4fd00059e. Faraday Discuss. 2024. PMID: 39099471
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: schilling c. Faraday Discuss. 2024 Nov 6;254(0):191-215. doi: 10.1039/d4fd90041c. Faraday Discuss. 2024. PMID: 39378043 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: schilling c. Faraday Discuss. 2024 Nov 6;254(0):451-499. doi: 10.1039/d4fd90042a. Faraday Discuss. 2024. PMID: 39404254 No abstract available.
Reduced Density Matrix Functional Theory for Bosons.
Benavides-Riveros CL, Wolff J, Marques MAL, Schilling C. Benavides-Riveros CL, et al. Among authors: schilling c. Phys Rev Lett. 2020 May 8;124(18):180603. doi: 10.1103/PhysRevLett.124.180603. Phys Rev Lett. 2020. PMID: 32441966
450 results