Publication - Journal Article Excited-state absorption in tetrapyridyl porphyrins: comparing real-time and quadratic-response time-dependent density functional theory

https://doi.org/10.1039/c7cp04567k
Journal Article
Phys. Chem. Chem. Phys., vol. 19, iss. 40, pp. 27452-27462, 2017
Authors
David N. Bowman, Jason C. Asher, Sean A. Fischer, Christopher J. Cramer, Niranjan Govind
Abstract

Three meso-substituted tetrapyridyl porphyrins (free base, Ni(ii), and Cu(ii)) were investigated for their optical limiting (OL) capabilities using real-time (RT-), linear-response (LR-), and quadratic-response (QR-) time-dependent density functional theory (TDDFT) methods.

English