Linear-response functions of molecules on a quantum computer: Charge and spin responses and optical absorption
Taichi Kosugi, Yu‐ichiro Matsushita · Physical Review Research · 2020
This work proposes a generic construction scheme for the quantum circuit implementing a nonunitary operator appearing in electronic-structure calculations. The authors demonstrate that the scheme enables one via probabilistic state preparation to calculate the linear-response functions of diatomic molecules, where simulated measurements and full configuration-interaction results are compared.