Fig. 5: Vertical absorption and emission energies as a function of the (inverse) number of atoms in the supercell. | npj Computational Materials

Fig. 5: Vertical absorption and emission energies as a function of the (inverse) number of atoms in the supercell.

From: A general framework for active space embedding methods with applications in quantum computing

Fig. 5

Filled green squares and blue circles correspond to calculated singlet absorption energies, while filled upside-orange and downside-yellow triangles correspond to calculated triplet emission energies. Dashed lines are linear extrapolation curves to the TDL, whose value is marked with a corresponding empty symbol.

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