output
20172025
most citedA Mountaineering Strategy to Excited States: Highly-Accurate Reference Energies and Benchmarks

378 citations

researchers with a paper here
collaborating institutions
Showing 2025Show all

4 papers · 1 filter

physics.chem-ph2025★ 23 cited

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…

astro-ph.GA2025★ 4 cited

Shock-induced HCNH+ abundance enhancement in the heart of the starburst galaxy NGC 253 unveiled by ALCHEMI

Y. Gong, C. Henkel, C. T. Bop +15

Understanding the chemistry of molecular clouds is pivotal to elucidate star formation and galaxy evolution. As one of the important molecular ions, HCNH+ plays an important role i…

physics.chem-ph2025★ 18 cited

Excited State Absorption: Reference Oscillator Strengths, Wavefunction and TD-DFT Benchmarks

Jakub Širůček, Boris Le Guennic, Yann Damour +2

Excited-state absorption (ESA) corresponds to the transition between two electronic excited states and is a fundamental process for probing and understanding light-matter interacti…

physics.chem-ph2025★ 1 cited

Photodissociation of Cr(CO)bpy: A non-adiabatic dynamics investigation

Bartosz Ciborowski, Morgane Vacher

Carbonyl complexes of metals with an alpha-diimine ligand exhibit both emission and ligand-selective photodissociation from MLCT states. Studying this photodissociative mecha…