Modeling magnetic interactions in high-valent trinuclear [Mn3(IV)O4]4+ complexes through highly compressed multi-configurational wave functions von Li Manni, Giovanni

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Permutation symmetry in spin-adapted many-body wave functions von Song, Maru, Alavi, Ali, Li Manni, Giovanni

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The generalized active space concept in multiconfigurational self-consistent field methods von Ma, Dongxia, Li Manni, Giovanni, Gagliardi, Laura

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NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods von Guther, Kai, Anderson, Robert J., Blunt, Nick S., Bogdanov, Nikolay A., Cleland, Deidre, Dattani, Nike, Dobrautz, Werner, Ghanem, Khaldoon, Jeszenszki, Peter, Liebermann, Niklas, Manni, Giovanni Li, Lozovoi, Alexander Y., Luo, Hongjun, Ma, Dongxia, Merz, Florian, Overy, Catherine, Rampp, Markus, Samanta, Pradipta Kumar, Schwarz, Lauretta R., Shepherd, James J., Smart, Simon D., Vitale, Eugenio, Weser, Oskar, Booth, George H., Alavi, Ali

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Chemical insights into the electronic structure of Fe(II) porphyrin using FCIQMC, DMRG, and generalized active spaces von Weser, Oskar, Freitag, Leon, Guther, Kai, Alavi, Ali, Li Manni, Giovanni

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Compression of Spin-Adapted Multiconfigurational Wave Functions in Exchange-Coupled Polynuclear Spin Systems von Li Manni, Giovanni, Dobrautz, Werner, Alavi, Ali

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Second-Order Perturbation Theory for Generalized Active Space Self-Consistent-Field Wave Functions von Ma, Dongxia, Li Manni, Giovanni, Olsen, Jeppe, Gagliardi, Laura

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Quenched Lewis Acidity: Studies on the Medium Dependent Fluorescence of Zinc(II) Complexes von Kurz, Hannah, Hörner, Gerald, Weser, Oskar, Li Manni, Giovanni, Weber, Birgit

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Enhancement of superexchange due to synergetic breathing and hopping in corner-sharing cuprates von Bogdanov, Nikolay A., Li Manni, Giovanni, Sharma, Sandeep, Gunnarsson, Olle, Alavi, Ali

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Combining the Complete Active Space Self-Consistent Field Method and the Full Configuration Interaction Quantum Monte Carlo within a Super-CI Framework, with Application to Challen... von Li Manni, Giovanni, Smart, Simon D, Alavi, Ali

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Exploiting Locality in Full Configuration Interaction Quantum Monte Carlo for Fast Excitation Generation von Weser, Oskar, Alavi, Ali, Manni, Giovanni Li

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Clinical and radiographic assessment of circular versus triangular cross‐section neck Implants in the posterior maxilla: A 1‐year randomized controlled trial von Li Manni, Lou, Lecloux, Geoffrey, Rompen, Eric, Aouini, Walid, Shapira, Lior, Lambert, France

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Resolution of Electronic States in Heisenberg Cluster Models within the Unitary Group Approach von Li Manni, Giovanni, Kats, Daniel, Liebermann, Niklas

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Magnetic Interactions in a [Co(II)3Er(III)(OR)4] Model Cubane through Forefront Multiconfigurational Methods von Han, Ruocheng, Luber, Sandra, Li Manni, Giovanni

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Role of Valence and Semicore Electron Correlation on Spin Gaps in Fe(II)-Porphyrins von Li Manni, Giovanni, Kats, Daniel, Tew, David P, Alavi, Ali

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Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems von Gagliardi, Laura, Truhlar, Donald G, Li Manni, Giovanni, Carlson, Rebecca K, Hoyer, Chad E, Bao, Junwei Lucas

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On the Analysis of the Cr−Cr Multiple Bond in Several Classes of Dichromium Compounds von La Macchia, G, Li Manni, G, Todorova, T. K, Brynda, M, Aquilante, F, Roos, B. O, Gagliardi, L

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Stochastic Generalized Active Space Self-Consistent Field: Theory and Application von Weser, Oskar, Guther, Kai, Ghanem, Khaldoon, Li Manni, Giovanni

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Spin-Pure Stochastic-CASSCF via GUGA-FCIQMC Applied to Iron–Sulfur Clusters von Dobrautz, Werner, Weser, Oskar, Bogdanov, Nikolay A, Alavi, Ali, Li Manni, Giovanni

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SplitGAS Method for Strong Correlation and the Challenging Case of Cr 2 von Li Manni, Giovanni, Ma, Dongxia, Aquilante, Francesco, Olsen, Jeppe, Gagliardi, Laura

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