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Time-Dependent Coupled-Cluster Theory

dc.date.accessioned2023-05-19T15:48:11Z
dc.date.available2023-05-19T15:48:11Z
dc.date.created2023-04-17T12:59:59Z
dc.date.issued2023
dc.identifier.citationOfstad, Benedicte Sverdrup Aurbakken, Einar Schøyen, Øyvind Sigmundson Kristiansen, Håkon Emil Kvaal, Simen Pedersen, Thomas Bondo . Time-Dependent Coupled-Cluster Theory. Wiley Interdisciplinary Reviews. Computational Molecular Science. 2023
dc.identifier.urihttp://hdl.handle.net/10852/102315
dc.description.abstractRecent years have witnessed an increasing interest in time-dependent coupled-cluster (TDCC) theory for simulating laser-driven electronic dynamics in atoms and molecules, and for simulating molecular vibrational dynamics. Starting from the time-dependent bivariational principle, we review different flavors of single-reference TDCC theory with either orthonormal static, orthonormal time-dependent, or biorthonormal time-dependent spin orbitals. The time-dependent extension of equation-of-motion coupled-cluster theory is also discussed, along with the applications of TDCC methods to the calculation of linear absorption spectra, linear and low-order nonlinear response functions, highly nonlinear high harmonic generation spectra and ionization dynamics. In addition, the role of TDCC theory in finite-temperature many-body quantum mechanics is briefly described along with a few other application areas.
dc.description.abstractTime-Dependent Coupled-Cluster Theory
dc.languageEN
dc.titleTime-Dependent Coupled-Cluster Theory
dc.title.alternativeENEngelskEnglishTime-Dependent Coupled-Cluster Theory
dc.typeJournal article
dc.creator.authorOfstad, Benedicte Sverdrup
dc.creator.authorAurbakken, Einar
dc.creator.authorSchøyen, Øyvind Sigmundson
dc.creator.authorKristiansen, Håkon Emil
dc.creator.authorKvaal, Simen
dc.creator.authorPedersen, Thomas Bondo
cristin.unitcode185,15,12,59
cristin.unitnameTeoretisk kjemi
cristin.ispublishedfalse
cristin.fulltextpostprint
cristin.qualitycode1
dc.identifier.cristin2141277
dc.identifier.bibliographiccitationinfo:ofi/fmt:kev:mtx:ctx&ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Wiley Interdisciplinary Reviews. Computational Molecular Science&rft.volume=&rft.spage=&rft.date=2023
dc.identifier.jtitleWiley Interdisciplinary Reviews. Computational Molecular Science
dc.identifier.doihttps://doi.org/10.1002/wcms.1666
dc.type.documentTidsskriftartikkel
dc.type.peerreviewedPeer reviewed
dc.source.issn1759-0876
dc.type.versionAcceptedVersion
cristin.articleide1666
dc.relation.projectNFR/262695
dc.relation.projectCAS/Attosecond quantum dynamics beyond Born-Oppenheimer


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