While methodological developments in the last decade made it possible to compute coupled
cluster (CC) energies including excitations up to a perturbative triples correction for …

Striving to define very accurate vertical transition energies, we perform both high-level
coupled cluster (CC) calculations (up to CCSDTQP) and selected configuration interaction …

Following our previous work focusing on compounds containing up to 3 non-hydrogen
atoms [J. Chem. Theory Comput. 2018, 14, 4360–4379], we present here highly accurate …

Methods able to simultaneously account for both static and dynamic electron correlations
have often been employed, not only to model photochemical events but also to provide …

The performance of the most recent density functionals is assessed for charge-transfer (CT)
excitations using comprehensive intra-and intermolecular CT benchmark sets with high …

A comprehensive overview of the performance of local hybrid functionals for molecular
properties like excited states, ionization potentials within the GW framework, polarizabilities …

Aiming at completing the sets of FCI-quality transition energies that we recently developed
(J. Chem. Theory Comput. 2018, 14, 4360–4379, ibid. 2019, 15, 1939–1956, and ibid. 2020 …

The newly developed back transformed pair natural orbital based similarity transformed
equation of motion (bt-STEOM) method at the coupled cluster singles and doubles level …

The numerous existing publications on benchmarking quantum chemistry methods for
excited states rarely include Charge Transfer (CT) states, although many interesting …

Pursuing our efforts to define highly accurate estimates of the relative energies of excited
states in organic molecules, we investigate, with coupled-cluster methods including iterative …