Table 4. Computational Timings (s) for ADMM-PBE0 and sTDA@ADMM-PBE0 Kernels for a Series of Fluorescent COFs as Required for the Computation of Broad-Band Absorption Spectra over the Lowest 500 Excited States as well as for the ES Geometry Optimization of the First Excited State when Selecting a Manifold of the Lowest 8 Singlet States^a.

			Absorption spectra		ES optimization
			ADMM	sTDA	ADMM		sTDA
	# Atoms	# Basis	Time	Time	Time	Time/Step	Time	Time/Step
05000N2	84	2076	15758	2157	9590	461	8937	329
05001N2	192	4848	33678	2472	77332	1556	33837	637
15100N2	300	7440	36907	2623	155696	1729	37804	433
15101N2	192	5028	30931	1932	67962	1680	29258	417
20610N2	240	5700	30014	2119	59603	1086	16627	266
20611N2	262	6188	27965	1993	136122	1818	35955	362

^aTimings are reported for a Intel Xeon E5-2670 processor using in total 2304 cores.