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Quantum chemistry of the excited state: recent trends in methods developments and applications

Advances (2016–2017) in Quantum Chemistry of the Excited State (QCEX) are presented in this book chapter focusing firstly on developments of methodology and excited-state reaction-path computational strategies and secondly on the applications of QCEX to study light–matter interaction in distinct fields of biology, (nano)-technology, medicine and the environment. We highlight in this contribution developments of static and dynamic electron-correlation methods and methodological approaches to determine dynamical properties, recent examples of the roles of conical intersections, novel DNA spectroscopy and photochemistry findings, photo-sensitisation mechanisms in biological structures and the current knowledge on chemi-excitation mechanisms that give rise to light emission (in the chemiluminescence and bioluminescence phenomena).

Print publication date: 03 Sep 2018
Copyright year: 2019
Print ISBN: 978-1-78801-336-9
PDF eISBN: 978-1-78801-359-8
ePub eISBN: 978-1-78801-559-2
Citation: