✦ LIBER ✦

Microscopic simulation of quantum dynamics and nuclear tunneling in bacterial reaction centers

✍ Scribed by Zhen Tao Chu; Arieh Warshel; William W. Parson

Publisher: Springer
Year: 1989
Tongue: English
Weight: 531 KB
Volume: 22
Category: Article
ISSN: 0166-8595
DOI: 10.1007/bf00114765

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✦ Synopsis

The "dispersed polaron" version of the semiclassical trajectory approach is used to evaluate the quantum mechanical nuclear tunneling effects in the charge recombination reaction, P+ Q-~ PQ, in photosynthetic bacterial reaction centers. The calculations are based on the crystallographic structure of reaction centers from Rhodopseudomonas viridis. They succeed in capturing the temperature dependence of the rate constant without using adjustable parameters. This provides the first example of a microscopic simulation of quantum mechanical nuclear tunneling in a biological system.

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