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

Nils Erik Dahlen*, Adrian Stan

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingConference contributionAcademicpeer-review

19 Citations (Scopus)
160 Downloads (Pure)

Abstract

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.

Original languageEnglish
Title of host publicationProgress in Nonequilibrium Green's Functions III
EditorsM Bonitz, A Filinov
Place of PublicationBRISTOL
PublisherIOP PUBLISHING LTD
Pages324-339
Number of pages16
Volume35
Edition2
DOIs
Publication statusPublished - 2006
EventConference on Progress in Nonequilibrium Greens Functions III - , Germany
Duration: 1-Aug-2005 → …

Publication series

NameJOURNAL OF PHYSICS CONFERENCE SERIES
PublisherIOP PUBLISHING LTD
Volume35
ISSN (Print)1742-6588

Other

OtherConference on Progress in Nonequilibrium Greens Functions III
CountryGermany
Period01/08/2005 → …

Keywords

  • INITIAL CORRELATIONS
  • TIME
  • SYSTEMS
  • KINETICS

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