Francesco Aquilante
École Polytechnique Fédérale de Lausanne(CH)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Advanced NMR Techniques and Applications, Photochemistry and Electron Transfer Studies, Crystallography and molecular interactions
Most-Cited Works
- → MOLCAS 7: The Next Generation(2009)1,541 cited
- → 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
- → Unbiased auxiliary basis sets for accurate two-electron integral approximations(2007)384 cited
- → Cholesky Decomposition-Based Multiconfiguration Second-Order Perturbation Theory (CD-CASPT2): Application to the Spin-State Energetics of CoIII(diiminato)(NPh)(2008)372 cited
- → Low-cost evaluation of the exchange Fock matrix from Cholesky and density fitting representations of the electron repulsion integrals(2007)344 cited
- → The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry(2023)302 cited
- → Atomic Cholesky decompositions: A route to unbiased auxiliary basis sets for density fitting approximation with tunable accuracy and efficiency(2009)249 cited
- → Multiconfiguration second‐order perturbation theory approach to strong electron correlation in chemistry and photochemistry(2011)207 cited