378 citations · 526 across the 5 of their papers we have counts for
5 papers
The QUEST Database of Highly-Accurate Excitation Energies
Pierre-François Loos, Martial Boggio-Pasqua, Aymeric Blondel +2
We report theoretical best estimates of vertical transition energies (VTEs) for a large number of excited states and molecules: the \textsc{quest} database. This database includes…
Reference CC3 Excitation Energies for Organic Chromophores: Benchmarking TD-DFT, BSE/ and Wave Function Methods
Iryna Knysh, Filippo Lipparini, Aymeric Blondel +4
To expand the QUEST database of highly-accurate vertical transition energies, we consider a series of large organic chromogens ubiquitous in dye chemistry, such as anthraquinone, a…
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…
A Mountaineering Strategy to Excited States: Highly-Accurate Oscillator Strengths and Dipole Moments of Small Molecules
Amara Chrayteh, Aymeric Blondel, Pierre-François Loos +1
This work presents a series of highly-accurate excited-state properties obtained using high-order coupled-cluster (CC) calculations performed with a series of diffuse containing ba…
A Mountaineering Strategy to Excited States: Highly-Accurate Reference Energies and Benchmarks
Pierre-François Loos, Anthony Scemama, Aymeric Blondel +3
Striving to define very accurate vertical transition energies, we perform both high-level coupled cluster (CC) calculations (up to CCSDTQP) and selected configuration interaction (…