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• W3098485762 endingPage "084102" @default.
• W3098485762 startingPage "084102" @default.
• W3098485762 abstract "Time-dependent current–density-functional theory (TDCDFT) provides an, in principle, exact scheme to calculate efficiently response functions for a very broad range of applications. However, the lack of approximations valid for a range of parameters met in experimental conditions has so far delayed its extensive use in inhomogeneous systems. On the other side, in many-body perturbation theory accurate approximations are available, but at a price of a higher computational cost. In the present work, the possibility of combining the advantages of both approaches is exploited. In this way, an exact equation for the exchange-correlation kernel of TDCDFT is obtained, which opens the way for a systematic improvement of the approximations adopted in practical applications. Finally, an approximate kernel for an efficient calculation of spectra of solids and molecular conductances is suggested and its validity is discussed." @default.
• W3098485762 created "2020-11-23" @default.
• W3098485762 creator A5044297669 @default.
• W3098485762 date "2011-02-28" @default.
• W3098485762 modified "2023-09-23" @default.
• W3098485762 title "Design of effective kernels for spectroscopy and molecular transport: Time-dependent current–density-functional theory" @default.
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• W3098485762 doi "https://doi.org/10.1063/1.3558738" @default.
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• W3098485762 hasPublicationYear "2011" @default.
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