Linear-response functions of molecules on a quantum computer: Charge and spin responses and optical absorption

Autor: Yu-ichiro Matsushita, Taichi Kosugi
Rok vydání: 2020
Předmět:
Zdroj: Physical Review Research. 2
ISSN: 2643-1564
DOI: 10.1103/physrevresearch.2.033043
Popis: 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.
Databáze: OpenAIRE