Low-lying excited states of light-harvesting system II in purple bacteria
Chen, Guan Hua
Date of Issue2004
School of Materials Science and Engineering
The low-lying excited states of a B850 ring of Rhodospirillum (Rs.) molischianum are determined accurately by a semiempirical INDO/S method. Results obtained are found to fit extremely well with a Frenkel exciton model with long-range dipolar interactions, and the spatial size of the electron-hole pair is confirmed to fall predominantly within one bacteriochlorophyll with a small leakage to its nearest neighbors. More importantly, the nearest neighbor exciton coupling constants are found to be close to those evaluated directly from dimers, and thus, an existing discrepancy between calculated results of dimers and B850 rings has been resolved.
Physical review E
© 2004 American Physical Society. This paper was published in Physical Review E and is made available as an electronic reprint (preprint) with permission of American Physical Society. The paper can be found at: [Doi: http://dx.doi.org/10.1103/PhysRevE.69.032902]. One print or electronic copy may be made for personal use only. Systematic or multiple reproduction, distribution to multiple locations via electronic or other means, duplication of any material in this paper for a fee or for commercial purposes, or modification of the content of the paper is prohibited and is subject to penalties under law.