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

doi:10.1562/2006-03-17-IR-851

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

School of Engineering & Physical Sciences

Research output: Contribution to journal › Literature review › peer-review

86 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 language	English
Pages (from-to)	1136-1160
Number of pages	25
Journal	Photochemistry and Photobiology
Volume	82
Issue number	5
DOIs	https://doi.org/10.1562/2006-03-17-IR-851
Publication status	Published - 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

Access to Document

10.1562/2006-03-17-IR-851

Cite this

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

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.",

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",

author = "Paterson, {Martin J.} and Ove Christiansen and Frank Jensen and Ogilby, {Peter R.}",

year = "2006",

doi = "10.1562/2006-03-17-IR-851",

language = "English",

volume = "82",

pages = "1136--1160",

journal = "Photochemistry and Photobiology",

issn = "0031-8655",

publisher = "Wiley-Blackwell",

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TY - JOUR

T1 - Invited review - Overview of theoretical and computational methods applied to the oxygen-organic molecule photosystem

AU - Paterson, Martin J.

AU - Christiansen, Ove

AU - Jensen, Frank

AU - Ogilby, Peter R.

PY - 2006

Y1 - 2006

N2 - 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.

AB - 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.

KW - 2-PHOTON PHOTOSENSITIZED PRODUCTION

KW - INDUCED ELECTRONIC-TRANSITIONS

KW - FULL CONFIGURATION-INTERACTION

KW - CHARGE-TRANSFER INTERACTIONS

KW - PLESSET PERTURBATION-THEORY

KW - DENSITY-FUNCTIONAL THEORY

KW - GENERAL COUPLED-CLUSTER

KW - SINGLET-OXYGEN

KW - RADIATIVE TRANSITIONS

KW - ABSORPTION-SPECTRUM

U2 - 10.1562/2006-03-17-IR-851

DO - 10.1562/2006-03-17-IR-851

M3 - Literature review

VL - 82

SP - 1136

EP - 1160

JO - Photochemistry and Photobiology

JF - Photochemistry and Photobiology

SN - 0031-8655

IS - 5

ER -