activity
20162025
most citedA Mountaineering Strategy to Excited States: Highly-Accurate Energies and Benchmarks for Medium Size Molecules

241 citations · 1.3k across the 13 of their papers we have counts for

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Showing 2022Show all

2 papers · 1 filter

physics.chem-ph2022★ 14 cited

Benchmarking CASPT3 Vertical Excitation Energies

Martial Boggio-Pasqua, Denis Jacquemin, Pierre-François Loos

Based on 280 reference vertical transition energies of various natures (singlet, triplet, valence, Rydberg, , , and double excitations) extracted from the QUEST d…

physics.chem-ph2022★ 28 cited

Reference Energies for Cyclobutadiene: Automerization and Excited States

Enzo Monino, Martial Boggio-Pasqua, Anthony Scemama +2

Cyclobutadiene is a well-known playground for theoretical chemists and is particularly suitable to test ground- and excited-state methods. Indeed, due to its high spatial symmetry,…