Parameter-free calculation of response functions in time-dependent density-functional theory

Francesco Sottile; Valerio Olevano; Lucia Reining

Parameter-free calculation of response functions in time-dependent density-functional theory

Francesco Sottile
, Valerio Olevano
, Lucia Reining

Laboratoire des Solides Irradiés

Résultats de recherche: Contribution à un journal › Article › Revue par des pairs

Résumé

Parameter-free calculation of response functions in time-dependent density-functional theory was presented. It was shown that the excitonic effects in the optical spectra could be reproduced through different exchange-correlation kernels (f_xc). Results indicated that the key quantity in optical absorption spectra was not f_xc, but f _xc combined with a response function.

langue originale	Anglais
Numéro d'article	056402
Pages (de - à)	564021-564024
Nombre de pages	4
journal	Physical Review Letters
Volume	91
Numéro de publication	5
état	Publié - 1 août 2003

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title = "Parameter-free calculation of response functions in time-dependent density-functional theory",

abstract = "Parameter-free calculation of response functions in time-dependent density-functional theory was presented. It was shown that the excitonic effects in the optical spectra could be reproduced through different exchange-correlation kernels (fxc). Results indicated that the key quantity in optical absorption spectra was not fxc, but f xc combined with a response function.",

author = "Francesco Sottile and Valerio Olevano and Lucia Reining",

year = "2003",

month = aug,

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language = "English",

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journal = "Physical Review Letters",

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T1 - Parameter-free calculation of response functions in time-dependent density-functional theory

AU - Sottile, Francesco

AU - Olevano, Valerio

AU - Reining, Lucia

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Y1 - 2003/8/1

N2 - Parameter-free calculation of response functions in time-dependent density-functional theory was presented. It was shown that the excitonic effects in the optical spectra could be reproduced through different exchange-correlation kernels (fxc). Results indicated that the key quantity in optical absorption spectra was not fxc, but f xc combined with a response function.

AB - Parameter-free calculation of response functions in time-dependent density-functional theory was presented. It was shown that the excitonic effects in the optical spectra could be reproduced through different exchange-correlation kernels (fxc). Results indicated that the key quantity in optical absorption spectra was not fxc, but f xc combined with a response function.

M3 - Article

AN - SCOPUS:0041917414

SN - 0031-9007

VL - 91

SP - 564021

EP - 564024

JO - Physical Review Letters

JF - Physical Review Letters

IS - 5

M1 - 056402

ER -

Parameter-free calculation of response functions in time-dependent density-functional theory

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