Multireference Approaches for Excited States of Molecules
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F18%3A00492894" target="_blank" >RIV/61388963:_____/18:00492894 - isvavai.cz</a>
Alternative codes found
RIV/61989592:15310/18:73591344
Result on the web
<a href="http://dx.doi.org/10.1021/acs.chemrev.8b00244" target="_blank" >http://dx.doi.org/10.1021/acs.chemrev.8b00244</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.chemrev.8b00244" target="_blank" >10.1021/acs.chemrev.8b00244</a>
Alternative languages
Result language
angličtina
Original language name
Multireference Approaches for Excited States of Molecules
Original language description
Understanding the properties of electronically excited states is a challenging task that becomes increasingly important for numerous applications in chemistry, molecular physics, molecular biology, and materials science. A substantial impact is exerted by the fascinating progress in time-resolved spectroscopy, which leads to a strongly growing demand for theoretical methods to describe the characteristic features of excited states accurately. Whereas for electronic ground state problems of stable molecules the quantum chemical methodology is now so well developed that informed nonexperts can use it efficiently, the situation is entirely different concerning the investigation of excited states. This review is devoted to a specific class of approaches, usually denoted as multireference (MR) methods, the generality of which is needed for solving many spectroscopic or photodynamical problems. However, the understanding and proper application of these MR methods is often found to be difficult due to their complexity and their computational cost. The purpose of this review is to provide an overview of the most important facts about the different theoretical approaches available and to present by means of a collection of characteristic examples useful information, which can guide the reader in performing their own applications.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
<a href="/en/project/GA16-16959S" target="_blank" >GA16-16959S: Theoretical Description of the Excited states of Covalently and Non-covalently Functionalized Graphenes</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Chemical Reviews
ISSN
0009-2665
e-ISSN
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Volume of the periodical
118
Issue of the periodical within the volume
15
Country of publishing house
US - UNITED STATES
Number of pages
69
Pages from-to
7293-7361
UT code for WoS article
000441475900009
EID of the result in the Scopus database
2-s2.0-85051868334