Fig. 6: Density-density response function of NaH. | npj Quantum Information

Fig. 6: Density-density response function of NaH.

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

Fig. 6

A \({{{\rm{Im}}}}\,{\chi }_{00}\) without RC. B \({{{\rm{Im}}}}\,{\chi }_{00}\) with RC. C \({{{\rm{Im}}}}\,{\chi }_{01}\) without RC. D \({{{\rm{Im}}}}\,{\chi }_{01}\) with RC. All experimental results are post-processed with McWeeny purification on the system-qubit states after constraining to the ancilla bitstring subspace. A broadening factor of η = 1.5 eV is used to generate the spectra. Without RC, the iToffoli decomposition yields qualitatively better results compared to the CZ decomposition. After RC is applied, the two decompositions yield comparable results.

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