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. Author manuscript; available in PMC: 2019 Apr 26.
Published in final edited form as: J Chem Theory Comput. 2013 Aug 27;9(9):4097–4115. doi: 10.1021/ct400450k

Figure 2.

Figure 2

S1 ← S0 OPA spectrum of anthracene simulated with the path integral (TD, in red) and sum-over-states (TI, in green) approaches. Convoluted band-shapes were obtained by applying Gaussian distribution functions with HWHM=150 cm−1 (dashed line) and 200 cm−1 (solid line), respectively. All spectra were simulated at the AH|FC level at T=0K in vacuum.