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Communications Chemistry|January 4, 2026
Convex Hartree-Fock theory for modeling ground state conical intersectionsFederico Rossi, Henrik KochThe Journal of Physical Chemistry Letters|January 8, 2025
Generalized Coupled Cluster Theory for Ground and Excited State IntersectionsFederico Rossi, Eirik F Kjønstad, Sara Angelico, et al.The Journal of Physical Chemistry. A|November 18, 2025
SpinAdaptedSecondQuantization.jl 1.0─A Simple and Pedagogical Approach to Symbolic Quantum ChemistryMarcus T Lexander, Tor S Haugland, Federico Rossi, et al.The Journal of Chemical Physics|July 17, 2026
Coupled-cluster theory for positron binding in anions and polyatomic moleculesRosario R Riso, Jan Haakon M Trabski, Federico Rossi, et al.FEMS Microbiology Letters|November 11, 2020
Beneficial biofilms for land rehabilitation and fertilizationFederico RossiJournal of Chemical Theory and Computation|July 27, 2022
Fragment Localized Molecular OrbitalsTommaso Giovannini, Henrik KochThe Journal of Chemical Physics|November 17, 2015
Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster frameworkSonia Coriani, Henrik KochJournal of Chemical Theory and Computation|December 18, 2020
Energy-Based Molecular Orbital Localization in a Specific Spatial RegionTommaso Giovannini, Henrik KochThe Journal of Chemical Physics|November 17, 2025
Understanding failures in electronic structure methods arising from the geometric phase effectEirik F Kjønstad, Henrik KochThe Journal of Physical Chemistry. A|October 24, 2024
Reduced Scaling Correlated Natural Transition Orbitals for Multilevel Coupled Cluster CalculationsSarai Dery Folkestad, Henrik KochPageof 23