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ABSTRACT:
SUBMITTER: Petrusevich EF
PROVIDER: S-EPMC8154621 | biostudies-literature | 2021 Apr
REPOSITORIES: biostudies-literature
Petrusevich Elizaveta F EF Ośmiałowski Borys B Zaleśny Robert R Alam Md Mehboob MM
The journal of physical chemistry. A 20210323 12
We present a theoretical study of a two-photon absorption (2PA) process in dipolar and quadrupolar systems containing two BF<sub>2</sub> units. For this purpose, we considered 13 systems studied by Ponce-Vargas et al. [ <i>J. Phys. Chem. B</i> 2017, 121, 10850-10858] and performed linear and quadratic response theory calculations based on the RI-CC2 method to obtain the 2PA parameters. Furthermore, using the recently developed generalized few-state model, we provided an in-depth view of the chan ...[more]