12 citations · 25 across the 7 of their papers we have counts for
3 papers · 1 filter
Construction of Antisymmetric Variational Quantum States with Real-Space Representation
Takahiro Horiba, Soichi Shirai, Hirotoshi Hirai
Electronic state calculations using quantum computers are mostly based on second quantization, which is suitable for qubit representation. Another way to describe electronic states…
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…
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…