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

Figure 5.

Figure 5

Excited potential energy surfaces of the carbon dimer. Potential energy surfaces for nine of the low-lying excited states of the carbon dimer are calculated. Solid lines represent penalty-based excited-state VMC results, dashed curves were obtained using NES-VMC,20 and dotted lines depict semistochastic heat-bath configuration interaction results in the cc-pV5Z basis.51