Invited review - Overview of theoretical and computational methods applied to the oxygen-organic molecule photosystem

Martin J. Paterson, Ove Christiansen, Frank Jensen, Peter R. Ogilby

Research output: Contribution to journalLiterature review

83 Citations (Scopus)

Abstract

The challenges of using modern theoretical and computational tools to model the unique features of the oxygen-organic molecule photosystem are discussed from a historical and pedagogical perspective. This review is written for the novice, but the problems formulated should stimulate the expert.

Original languageEnglish
Pages (from-to)1136-1160
Number of pages25
JournalPhotochemistry and Photobiology
Volume82
Issue number5
DOIs
Publication statusPublished - 2006

Keywords

  • 2-PHOTON PHOTOSENSITIZED PRODUCTION
  • INDUCED ELECTRONIC-TRANSITIONS
  • FULL CONFIGURATION-INTERACTION
  • CHARGE-TRANSFER INTERACTIONS
  • PLESSET PERTURBATION-THEORY
  • DENSITY-FUNCTIONAL THEORY
  • GENERAL COUPLED-CLUSTER
  • SINGLET-OXYGEN
  • RADIATIVE TRANSITIONS
  • ABSORPTION-SPECTRUM

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