Fig. 3: Spectral function of diatomic molecules. | npj Quantum Information

Fig. 3: Spectral function of diatomic molecules.

From: Quantum computation of frequency-domain molecular response properties using a three-qubit iToffoli gate

Fig. 3

Spectral function of A NaH, B KH. The circuits to obtain the spectral function are shallow three-qubit circuits that do not require the iToffoli gates. A broadening factor of η = 0.75 eV is used to generate both the exact and the experimental spectra. The experimental spectral functions are in quantitative agreement with the exact ones, with a maximum peak height deviation of 10.6%.

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