期刊
FARADAY DISCUSSIONS
卷 150, 期 -, 页码 363-373出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c0fd00014k
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资金
- Beilstein-Institut
In this contribution, advantages and disadvantages of the time-independent and time-dependent approaches for Franck-Condon profile calculations are discussed within the displaced-distorted-rotated harmonic oscillator approximation. Particular strengths and prospects of a previously developed time-independent cumulant expansion in the calculation of a Franck-Condon profile for UV/Vis absorption spectra are demonstrated for the specific case of the S-0((1)A(g)) -> S-1(B-1(3u)) transition of terrylene at various temperatures.
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