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Faraday Discussions|August 19, 2024
Permutation symmetry in spin-adapted many-body wave functionsMaru Song, Ali Alavi, Giovanni Li ManniJournal of Chemical Theory and Computation|November 10, 2025
A Genetic Algorithm Approach for Compact Wave Function Representations in Spin-Adapted BasesMaru Song, Giovanni Li ManniThe Journal of Physical Chemistry. A|March 30, 2018
Understanding the Mechanism Stabilizing Intermediate Spin States in Fe(II)-PorphyrinGiovanni Li Manni, Ali AlaviJournal of Chemical Theory and Computation|December 5, 2023
Exploiting Locality in Full Configuration Interaction Quantum Monte Carlo for Fast Excitation GenerationOskar Weser, Ali Alavi, Giovanni Li ManniJournal of Chemical Theory and Computation|February 14, 2020
Compression of Spin-Adapted Multiconfigurational Wave Functions in Exchange-Coupled Polynuclear Spin SystemsGiovanni Li Manni, Werner Dobrautz, Ali AlaviJournal of Chemical Theory and Computation|January 26, 2016
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 Challenging Metal-PorphyrinsGiovanni Li Manni, Simon D Smart, Ali AlaviJournal of Chemical Theory and Computation|December 3, 2025
Stochastic-SplitGAS: A Quantum Monte Carlo Multi-Reference Perturbation Theory Based on the Imaginary-Time Evolution of Effective HamiltoniansLuca Bonfirraro, Oskar Weser, Maru Song, et al.Journal of Chemical Theory and Computation|May 6, 2022
FCIQMC-Tailored Distinguishable Cluster Approach: Open-Shell SystemsEugenio Vitale, Giovanni Li Manni, Ali Alavi, et al.Journal of Chemical Theory and Computation|January 26, 2019
Role of Valence and Semicore Electron Correlation on Spin Gaps in Fe(II)-PorphyrinsGiovanni Li Manni, Daniel Kats, David P Tew, et al.The Journal of Physical Chemistry. A|March 17, 2022
Spin Purification in Full-CI Quantum Monte Carlo via a First-Order Penalty ApproachOskar Weser, Niklas Liebermann, Daniel Kats, et al.Pageof 20