Our most recent review of recent excited state quantum chemistry studies in the literature is out in the Specialist Progress Reports in Photochemistry (RSC)
Every couple of years we contribute a chapter to the Specialist Periodical Reports (SPR) book series "Photochemistry" of the Royal Society of Chemistry, edited by Stefano Crespi and Stefano Protti, where we analyse the main advances made by us, as well as others, in the field of theoretical photochemistry.[1,2]
This latest issue focusses on the 2020–2021 time period and spans advances made in a wide range of topics.[3] These include studies on the direct effects of UV light absorption on atmospheric chemistry compounds such as HOSO or the excited state processes triggered in DNA/RNA nucleobases upon UV and ionising (VUV) light absorption, just to name a couple examples.
Progress in the design of chemiluminescent systems and photosensitizers is also covered, together with associated DNA repair mechanisms simulated by surrogate oxetane and azetidine models. Theoretical aspects, such as the use of machine learning in the computation of electronic spectra are also highlighted, as well as the progressive adaption of excited state electronic structure models to work under quantum processing units (QPUs) in noisy intermediate-scale quantum (NISQ) computers, extending the simulation of excited state processes to state-of-the-art computing architectures.
The book chapter is aimed to provide a rough overview of those novel aspects we find interesting and we aim to frame them within the context of what's been done in the literature, hoping they will be also of interest to others!
References
[1] M. Navarrete-Miguel, J. Segarra-Martí, A. Francés-Monerris, A. Giussani, P. Farahani, B.-W. Ding, A. Monari, Y.-J. Liu and D. Roca-Sanjuán, "Quantum Chemistry of the Excited State: Recent Trends in Method Development and Applications", Photochemistry 46, 28-77 (2019).
[2] D. Roca-Sanjuán, J. Carmona-García, B.-W. Ding, M. Navarrete-Miguel, A. Francés-Monerris, A. Giussani, J. Segarra-Martí, A. Monari and Y.-J. Liu, "Photochemistry, Chemiluminescence and Dark Photochemistry: Computational Advances", Photochemistry 48, 24-70 (2021).
[3] J. Cuéllar-Zuquin, J. Carmona-García, M. Navarrete-Miguel, L. Cerdán, A. Francés-Monerris, A. Giussani, J. Segarra-Martí and D. Roca-Sanjuán, "Quantum chemistry of the excited state: advances in 2020-2021", Photochemistry 50, 28-66 (2023).