Orbital optimized unitary coupled cluster theory for quantum computer
Wataru Mizukami, Kosuke Mitarai, Yuya O. Nakagawa, Takahiro Yamamoto, Tennin Yan, Yu‐ya Ohnishi · Physical Review Research · 2020
This paper presents a wave-function method based on unitary coupled-cluster theory for quantum computers, to determine the quantum circuit parameters and molecular orbital parameters simultaneously, as well as molecular-geometry optimizations