378 citations · 2.7k across the 29 of their papers we have counts for
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Ground- and Excited-State Dipole Moments and Oscillator Strengths of Full Configuration Interaction Quality
Yann Damour, Raúl Quintero-Monsebaiz, Michel Caffarel +4
We report ground- and excited-state dipole moments and oscillator strengths (computed in different ``gauges'' or representations) of full configuration interaction (FCI) quality us…
A Mountaineering Strategy to Excited States: Revising Reference Values with EOM-CC4
Pierre-Fran\{c}ois Loos, Filippo Lipparini, Devin A. Matthews +2
In the framework of the computational determination of highly-accurate vertical excitation energies in small organic compounds, we explore the possibilities offered by the equation…
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…
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,…