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Journal of Computational Chemistry|August 17, 2023
A configuration-based heatbath-CI for spin-adapted multireference electronic structure calculations with large active spacesMihkel Ugandi, Michael RoemeltThe Journal of Physical Chemistry. A|March 21, 2013
Excited states of large open-shell molecules: an efficient, general, and spin-adapted approach based on a restricted open-shell ground state wave functionMichael Roemelt, Frank NeeseJournal of Chemical Theory and Computation|July 8, 2026
An Uncontracted Epstein-Nesbet Perturbation Theory Approximation to SC-NEVPT2 Based on Spin-Pure Selected CI Wave FunctionsMihkel Ugandi, Michael RoemeltPhysical Chemistry Chemical Physics : PCCP|July 17, 2024
The trials and triumphs of modelling X-ray absorption spectra of transition metal phthalocyaninesEsma Birsen Boydas, Michael RoemeltChemical Reviews|January 11, 2018
Homogeneously Catalyzed Electroreduction of Carbon Dioxide-Methods, Mechanisms, and CatalystsRobert Francke, Benjamin Schille, Michael RoemeltJournal of the American Chemical Society|January 6, 2026
Ambiphilic Reactivity and Switchable Methyl Transfer at a T-Shaped Bi(NNN) Complex Enabled by a Redox-Active Pincer LigandSotirios Pavlidis, Eric W Fischer, Amanda Opis-Basilio, et al.The Journal of Chemical Physics|May 22, 2026
The coherent-state transformation in quantum electrodynamics coupled cluster theoryEric W FischerJournal of Chemical Theory and Computation|November 19, 2025
Cavity Born-Oppenheimer Coupled Cluster Theory: Toward Electron Correlation in the Vibrational Strong Light-Matter Coupling RegimeEric W FischerThe Journal of Chemical Physics|October 25, 2024
Cavity-modified local and non-local electronic interactions in molecular ensembles under vibrational strong couplingEric W FischerJournal of Chemical Theory and Computation|December 7, 2017
Exchange Coupling Interactions from the Density Matrix Renormalization Group and N-Electron Valence Perturbation Theory: Application to a Biomimetic Mixed-Valence Manganese ComplexMichael Roemelt, Vera Krewald, Dimitrios A PantazisPageof 6