Mickaël G. Delcey
Centre National de la Recherche Scientifique(FR)Lund University(SE)Computational Physics (United States)(US)Université de Lorraine(FR)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, X-ray Spectroscopy and Fluorescence Analysis, Photochemistry and Electron Transfer Studies, Machine Learning in Materials Science
Most-Cited Works
- → Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table(2015)1,433 cited
- → OpenMolcas: From Source Code to Insight(2019)1,102 cited
- → Modern quantum chemistry with [Open]Molcas(2020)486 cited
- → The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry(2023)302 cited
- → Analytical State-Average Complete-Active-Space Self-Consistent Field Nonadiabatic Coupling Vectors: Implementation with Density-Fitted Two-Electron Integrals and Application to Conical Intersections(2016)170 cited
- → Restricted active space calculations of L-edge X-ray absorption spectra: From molecular orbitals to multiplet states(2014)131 cited