Figure 2 (IMAGE)

DOE/Brookhaven National Laboratory

Figure 2

Caption

At a particular O-H distance within an H2O molecule, there are multiple energy crossing points (a). This is the reason that the initial Adiabatic Algorithm fails. In contrast, the new algorithm, where the distance starts at a closer point and gradually moves further has energy levels smoothly connected without any crossing (b).

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Title: Geometric quantum adiabatic methods for quantum chemistry Journal: Physical Review Research DOI:https://doi.org/10.1103/PhysRevResearch.4.033045 Authors: Hongye Yu (余泓烨), Deyu Lu, Qin Wu, and Tzu-Chieh We

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