Nonequilibrium Green function theory for excitation and transport in atoms and molecules

Nils Erik Dahlen*, Adrian Stan

*Bijbehorende auteur voor dit werk

OnderzoeksoutputAcademicpeer review

19 Citaten (Scopus)
160 Downloads (Pure)

Samenvatting

In this work we discuss the application of nonequilibrium Green functions theory to atomic and molecular systems with the aim to study charge and energy transport in these systems. We apply the Kadanoff-Baym equations to atoms and diatomic molecules initially in the ground state. The results obtained for the correlated initial states are used to analyze variational energy functionals of the Green function which are shown to perform very well. We further show an application of the Kadanoff-Baym equations to a molecule exposed to an external laser field. Finally we discuss the connection between nonequilibrium Green function theory and time-dependent density-functional theory with the aim to develop better density functionals in order to treat larger systems than those attainable with the nonequilibrium Green function method.

Originele taal-2English
TitelProgress in Nonequilibrium Green's Functions III
RedacteurenM Bonitz, A Filinov
Plaats van productieBRISTOL
UitgeverijIOP PUBLISHING LTD
Pagina's324-339
Aantal pagina's16
Volume35
Uitgave2
DOI's
StatusPublished - 2006
EvenementConference on Progress in Nonequilibrium Greens Functions III - , Germany
Duur: 1-aug-2005 → …

Publicatie series

NaamJOURNAL OF PHYSICS CONFERENCE SERIES
UitgeverijIOP PUBLISHING LTD
Volume35
ISSN van geprinte versie1742-6588

Other

OtherConference on Progress in Nonequilibrium Greens Functions III
LandGermany
Periode01/08/2005 → …

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