Abstract
Relationship between charge transfer mechanism and quantum coherence has been investigated using a real-time quantum dynamics approach. In the on-the-fly filtered propagator functional path integral simulation, by separating paths that belong to different mechanisms and by integrating contributions of correspondingly sorted paths, it was possible to accurately obtain quantitative contribution of different transport mechanisms. For a 5′-GAGGG-3′ DNA sequence, we analyze charge transfer processes quantitatively such that the governing mechanism alters from coherent to incoherent charge transfer with respect to the friction strength arising from dissipative environments. Although the short DNA sequence requires substantially strong dissipation for completely incoherent hopping transfer mechanism, even a weak system-environment interaction markedly destroys the coherence within the quantum mechanical system and the charge transfer dynamics becomes incoherent to some degree. Based on the forward-backward path deviation analysis, the coherence variation depending on the environment is investigated numerically.
| Original language | English |
|---|---|
| Pages (from-to) | 607-612 |
| Number of pages | 6 |
| Journal | Bulletin of the Korean Chemical Society |
| Volume | 28 |
| Issue number | 4 |
| DOIs | |
| Publication status | Published - 2007 Apr 20 |
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All Science Journal Classification (ASJC) codes
- Chemistry(all)
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Environment dependent coherence of a short DNA charge transfer system. / Kim, Heeyoung; Lee, Myeongwon; Sim, Eun Ji.
In: Bulletin of the Korean Chemical Society, Vol. 28, No. 4, 20.04.2007, p. 607-612.Research output: Contribution to journal › Article
TY - JOUR
T1 - Environment dependent coherence of a short DNA charge transfer system
AU - Kim, Heeyoung
AU - Lee, Myeongwon
AU - Sim, Eun Ji
PY - 2007/4/20
Y1 - 2007/4/20
N2 - Relationship between charge transfer mechanism and quantum coherence has been investigated using a real-time quantum dynamics approach. In the on-the-fly filtered propagator functional path integral simulation, by separating paths that belong to different mechanisms and by integrating contributions of correspondingly sorted paths, it was possible to accurately obtain quantitative contribution of different transport mechanisms. For a 5′-GAGGG-3′ DNA sequence, we analyze charge transfer processes quantitatively such that the governing mechanism alters from coherent to incoherent charge transfer with respect to the friction strength arising from dissipative environments. Although the short DNA sequence requires substantially strong dissipation for completely incoherent hopping transfer mechanism, even a weak system-environment interaction markedly destroys the coherence within the quantum mechanical system and the charge transfer dynamics becomes incoherent to some degree. Based on the forward-backward path deviation analysis, the coherence variation depending on the environment is investigated numerically.
AB - Relationship between charge transfer mechanism and quantum coherence has been investigated using a real-time quantum dynamics approach. In the on-the-fly filtered propagator functional path integral simulation, by separating paths that belong to different mechanisms and by integrating contributions of correspondingly sorted paths, it was possible to accurately obtain quantitative contribution of different transport mechanisms. For a 5′-GAGGG-3′ DNA sequence, we analyze charge transfer processes quantitatively such that the governing mechanism alters from coherent to incoherent charge transfer with respect to the friction strength arising from dissipative environments. Although the short DNA sequence requires substantially strong dissipation for completely incoherent hopping transfer mechanism, even a weak system-environment interaction markedly destroys the coherence within the quantum mechanical system and the charge transfer dynamics becomes incoherent to some degree. Based on the forward-backward path deviation analysis, the coherence variation depending on the environment is investigated numerically.
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U2 - 10.5012/bkcs.2007.28.4.607
DO - 10.5012/bkcs.2007.28.4.607
M3 - Article
VL - 28
SP - 607
EP - 612
JO - Bulletin of the Korean Chemical Society
JF - Bulletin of the Korean Chemical Society
SN - 0253-2964
IS - 4
ER -