12 citations · 44 across the 9 of their papers we have counts for
Showing 2021 · quant-phShow all
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quant-ph2021★ 8 cited
Non-adiabatic Quantum Wavepacket Dynamics Simulation Based on Electronic Structure Calculations using the Variational Quantum Eigensolver
Hirotoshi Hirai, Sho Koh
A non-adiabatic nuclear wavepacket dynamics simulation of the HO de-excitation process is performed based on electronic structure calculations using the variational quantum…
quant-ph2021★ 4 cited
Missing Rung Problem in Vibrational Ladder Climbing
Takahiro Horiba, Soichi Shirai, Hirotoshi Hirai
We observed vanishing of the transition dipole moment, interrupting vibrational ladder climbing (VLC) in molecular systems. We clarified the mechanism of this phenomenon and presen…
quant-ph2021★ 12 cited
Molecular Structure Optimization based on Electrons-Nuclei Quantum Dynamics Computation
Hirotoshi Hirai, Takahiro Horiba, Soichi Shirai +4
A new concept of the molecular structure optimization method based on quantum dynamics computations is presented. Nuclei are treated as quantum mechanical particles, as are electro…