Quantum HF/DFT-embedding algorithms for electronic structure calculations: Scaling up to complex molecular systemsMax RossmannekPanagiotis Kl. Barkoutsoset al.2021Journal of Chemical Physics
Quantum equation of motion for computing molecular excitation energies on a noisy quantum processorPauline J. OllitraultAbhinav Kandalaet al.2020PRResearch
Quantum orbital-optimized unitary coupled cluster methods in the strongly correlated regime: Can quantum algorithms outperform their classical equivalents?Igor O. SokolovPanagiotis Kl. Barkoutsoset al.2020Journal of Chemical Physics