Quantum chemistry of the excited state: recent trends in methods developments and applications
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Accepted version
Author(s)
Navarrete-Miguel, Miriam
Segarra Marti, J
Francés-Monerris, Antonio
Giussani, Angelo
Farahani, Pooria
Type
Chapter
Abstract
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).
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).
Editor(s)
Albini, Angelo
Protti, Stefano
Date Issued
2019-09-03
Citation
Photochemistry: Volume 46, 2019, 46, pp.28-77
ISBN
9781788013369
1788013360
Publisher
Royal Society of Chemistry
Start Page
28
End Page
77
Journal / Book Title
Photochemistry: Volume 46
Volume
46
Copyright Statement
© The Royal Society of Chemistry 2019.
Sponsor
European Commission
Identifier
https://pubs.rsc.org/en/content/chapter/9781788013598-00028/978-1-78801-359-8
Grant Number
Marie Sklodowska Curie Actions (MSCA-IF)
Subjects
Science
Publication Status
Published
Date Publish Online
2019-09-03