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2016 | OriginalPaper | Buchkapitel

Constricted Variational Density Functional Theory Approach to the Description of Excited States

verfasst von : Tom Ziegler, Mykhaylo Krykunov, Issaka Seidu, Young Choon Park

Erschienen in: Density-Functional Methods for Excited States

Verlag: Springer International Publishing

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Abstract

We review the theoretical foundation of constricted variational density functional theory and illustrate its scope through applications.

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Vorheriges Kapitel Many-Body Perturbation Theory (MBPT) and Time-Dependent Density-Functional Theory (TD-DFT): MBPT Insights About What Is Missing In, and Corrections To, the TD-DFT Adiabatic Approximation

Nächstes Kapitel Ensemble DFT Approach to Excited States of Strongly Correlated Molecular Systems

See the chapter “Ensemble DFT approach to excited states of strongly correlated molecular systems” by M. Filatov.

See Sect. 3.1 from part S1 of supporting information in Ziegler et al. [27].

See Sect. 3.3 from part S1 of supporting information in Ziegler et al. [27].

See Sect. 3.2 from part S1 of supporting information in Ziegler et al. [27].

See Sect. 3.4 from part S1 of supporting information in Ziegler et al. [27].

See Sect. 4.1 from part S1 of supporting information in Ziegler et al. [27].

See Sect. 3.0 from part S2 of supporting information in Ziegler et al. [27].

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Titel: Constricted Variational Density Functional Theory Approach to the Description of Excited States
verfasst von: Tom Ziegler
Mykhaylo Krykunov
Issaka Seidu
Young Choon Park
Verlag: Springer International Publishing
Buch: Density-Functional Methods for Excited States
Print ISBN: 978-3-319-22080-2

Electronic ISBN: 978-3-319-22081-9

Copyright-Jahr: 2016
DOI: https://doi.org/10.1007/128_2014_611

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