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quant-ph2023
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…
physics.chem-ph2023
Computational analysis of chemical reactions using a variational quantum eigensolver algorithm without specifying spin multiplicity
Soichi Shirai, Hokuto Iwakiri, Keita Kanno +4
The analysis of a chemical reaction along the ground state potential energy surface in conjunction with an unknown spin state is challenging because electronic states must be separ…