Exploring non-adiabatic approximations to the exchange-correlation functional of TDDFT

A decomposition of the exact exchange-correlation potential of time-dependent density functional theory into an interaction component and a kinetic component offers a new starting point for non- adiabatic approximations. The components are expressed in terms of the exchange-correlation hole and the...

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Veröffentlicht in:	arXiv.org 2018-06
Hauptverfasser:	Fuks, Johanna I, Lacombe, Lionel, Nielsen, Soeren E B, Maitra, Neepa T
Format:	Artikel
Sprache:	eng
Schlagworte:	Adiabatic flow Correlation Density functional theory Exchanging Physics - Chemical Physics Time dependence
Online-Zugang:	Volltext
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