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Journal of Chemical Theory and Computation|January 17, 2025
FCIQMC-CASPT2 with Imaginary-Time-Averaged Wave FunctionsArta A Safari, Robert J Anderson, Ali Alavi, et al.Journal of Chemical Theory and Computation|May 15, 2026
Spin-Adapted Restricted Open-Shell Hartree-Fock and Its Dynamic Correlation ExtensionMaru Song, Luca Bonfirraro, Ignacio Fdez Galván, et al.The Journal of Physical Chemistry. A|May 28, 2021
Resolution of Low-Energy States in Spin-Exchange Transition-Metal Clusters: Case Study of Singlet States in [Fe(III)4S4] CubanesGiovanni Li Manni, Werner Dobrautz, Nikolay A Bogdanov, et al.Journal of Chemical Theory and Computation|September 1, 2021
Spin-Pure Stochastic-CASSCF via GUGA-FCIQMC Applied to Iron-Sulfur ClustersWerner Dobrautz, Oskar Weser, Nikolay A Bogdanov, et al.Physical Chemistry Chemical Physics : PCCP|September 15, 2021
Modeling magnetic interactions in high-valent trinuclear [Mn3(IV)O4]4+ complexes through highly compressed multi-configurational wave functionsGiovanni Li ManniJournal of Chemical Theory and Computation|May 1, 2023
Magnetic Interactions in a [Co(II)3Er(III)(OR)4] Model Cubane through Forefront Multiconfigurational MethodsRuocheng Han, Sandra Luber, Giovanni Li ManniThe Journal of Chemical Physics|January 26, 2011
Strong correlation treated via effective hamiltonians and perturbation theoryGiovanni Li Manni, Francesco Aquilante, Laura GagliardiThe Journal of Chemical Physics|August 3, 2011
The generalized active space concept in multiconfigurational self-consistent field methodsDongxia Ma, Giovanni Li Manni, Laura GagliardiJournal of Chemical Theory and Computation|February 3, 2023
Resolution of Electronic States in Heisenberg Cluster Models within the Unitary Group ApproachGiovanni Li Manni, Daniel Kats, Niklas LiebermannJournal of Chemical Theory and Computation|December 13, 2021
Stochastic Generalized Active Space Self-Consistent Field: Theory and ApplicationOskar Weser, Kai Guther, Khaldoon Ghanem, et al.Pageof 20