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. 2020 Feb 6;16(3):1555–1567. doi: 10.1021/acs.jctc.9b01129

Figure 1.

Figure 1

SA-CASSCF potential energy curves of the three lowest 1Σ+ states of lithium fluoride. There are two avoided crossing regions (highlighted in gray), one between the ground and the first excited states, labeled 1–2, and one between the first and the second excited states, labeled 2–3.