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 distribution of a molecule's polarizability to individual atomic sites is inevitable to
develop accurate polarizable force fields. We present the direct quantum mechanical …

Norrish reactions are important photo-induced reactions in mainstream organic chemistry
and are implicated in many industrially and biologically relevant processes and in the …

We present the theory and implementation for calculating static polarizabilities within the
equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) framework for …

4-Nitropyridine N-oxide is a well-known molecular probe for which the experimental UV/vis
absorption spectrum has been measured in a large number of solvents. Previous …

Ground and excited state dipoles and polarizabilities of the chromophores N-methyl-6-
oxyquinolinium betaine (MQ) and coumarin 153 (C153) in solution have been evaluated …

We present a semiempirical analytical model for the static polarizability of electronically
excited atoms and molecules, which requires very few readily accessible input data …

We present the derivation and implementation of complex, frequency-dependent
polarizabilities for excited states using the algebraic–diagrammatic construction for the …

We experimentally and theoretically investigate the field-free alignment of the asymmetric-
top acetone molecule. Our study shows that the production of postpulse aligned molecules …