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. 2024 Aug 30;20(18):7922–7935. doi: 10.1021/acs.jctc.4c00678

Figure 3.

Figure 3

Excitation energies of first- and third-row atoms. The lowest nine electronic excitation energies are computed for all first-row, and a range of third-row (Ge–Se) atoms. Experimental reference values from the NIST Atomic Spectra Database are depicted with gray horizontal lines,46 while dots display the results of the present work, with colors denoting the spin of the given excited state.