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 | |
| 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
Cite this
Paterson, M. J., Christiansen, O., Jensen, F., & Ogilby, P. R. (2006). Invited review - Overview of theoretical and computational methods applied to the oxygen-organic molecule photosystem. Photochemistry and Photobiology, 82(5), 1136-1160. https://doi.org/10.1562/2006-03-17-IR-851