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. 2021 Jul 23;1(8):1116–1140. doi: 10.1021/jacsau.1c00252

Figure 10.

Figure 10

Simulation times (colored dots) in nonadiabatic dynamics using different methods as a function of the number of nuclear degrees of freedom. Note the double-logarithmic scale. Shaded areas denote typical combinations based on the literature surveyed in this Perspective and do not refer to any strict limits. All simulation times taken from studies of transition metal complexes, except surface hopping/machine learning studies which were applied to organic molecules.243,244 MCTDH = multiconfigurational time-dependent Hartree. AIMS = ab initio multiple spawning. LVC = linear vibronic coupling.