Ontology highlight
ABSTRACT:
SUBMITTER: Dall'Osto G
PROVIDER: S-EPMC9639147 | biostudies-literature | 2022 Nov
REPOSITORIES: biostudies-literature
Dall'Osto Giulia G Corni Stefano S
The journal of physical chemistry. A 20221024 43
Raman scattering is a very powerful tool employed to characterize molecular systems. Here we propose a novel theoretical strategy to calculate the Raman cross-section in time domain, by computing the cumulative Raman signal emitted during the molecular evolution in time. Our model is based on a numerical propagation of the vibronic wave function under the effect of a light pulse of arbitrary shape. This approach can therefore tackle a variety of experimental setups. Both resonance and nonresonan ...[more]