Adiabatic state preparation of correlated wave functions with nonlinear scheduling functions and broken-symmetry wave functions

• Published in: Communications chemistry Vol. 5; no. 1; p. 84
• Main Authors: Sugisaki, Kenji, Toyota, Kazuo, Sato, Kazunobu, Shiomi, Daisuke, Takui, Takeji
• Format: Journal Article
• Language: English
• Published: London Nature Publishing Group UK 25.07.2022; Nature Publishing Group; Nature Portfolio
• Subjects: 639/638/563/758; 639/638/563/980; Adiabatic flow; Beryllium hydrides; Chemistry; Chemistry and Materials Science; Chemistry/Food Science; Circuits; Computers; Correlation; Mathematical analysis; Operators (mathematics); Potential energy; Quantum chemistry; Quantum computing; Scheduling; Self consistent fields; Simulation; Symmetry; Time dependence; Wave functions

Adiabatic state preparation (ASP) can generate the correlated wave function by simulating the time evolution of wave function under the time-dependent Hamiltonian that interpolates the Fock operator and the full electronic Hamiltonian. However, ASP is inherently unsuitable for studying strongly corr...