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Exchange and correlation kernels at the resonance frequency: Implications for excitation energies in density-functional theory

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Gonze, Xavier [UCL] Scheffler, M.

Specific matrix elements of exchange and correlation kernels in time-dependent density-functional theory are computed. The knowledge of these matrix elements not only constrains approximate time-dependent functionals. It also allows one to link different practical approaches to excited states, based either on density-functional theory or on many-body perturbation theory, despite the approximations that have been performed to derive them. [S0031-9007(99)09245-5].

Document type Article de périodique (Journal article) – Article de recherche
Access type Accès restreint
Publication date 1999
Language Anglais
Journal information "Physical Review Letters" - Vol. 82, no. 22, p. 4416-4419 (1999)
Peer reviewed yes
Publisher American Physical Soc (College Pk)
issn 0031-9007
e-issn 1079-7114
Publication status Publié
Affiliation UCL - FSA/MAPR - Département des sciences des matériaux et des procédés
Links
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Bibliographic reference Gonze, Xavier ; Scheffler, M.. Exchange and correlation kernels at the resonance frequency: Implications for excitation energies in density-functional theory. In: Physical Review Letters, Vol. 82, no. 22, p. 4416-4419 (1999)
Permanent URL http://hdl.handle.net/2078.1/44412