Similarity recognition of molecular structures by optimal atomic matching and rotational superposition. - Benjamin Helmich; Marek Sierka (J. Comput. Chem., 2012)

Improvements on the minimax algorithm for the Laplace transformation of orbital energy denominators. - Benjamin Helmich-Paris; Lucas Visscher (J. Comput. Phys., 2016)

A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function. - Christian Kollmar; Kantharuban Sivalingam; Benjamin Helmich-Paris; Celestino Angeli; Frank Neese (J. Comput. Chem., 2019)

Improving the Efficiency of Electrostatic Embedding Using the Fast Multipole Method. - Pauline Colinet; Frank Neese; Benjamin Helmich-Paris (J. Comput. Chem., 2025)