Published August 23, 2024 | Version v1
Journal article

Entanglement-assisted phase-estimation algorithm for calculating dynamical response functions

  • 1. Materials Informatics Initiative, RD Technology & Digital Transformation Center, JSR Corporation, 3-103-9 Tonomachi, Kawasaki-ku, Kawasaki 210-0821, Japan
  • 2. Quantum Computing Center, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama 223-8522, Japan
  • 3. Mitsubishi Chemical Corporation, Science & Innovation Center, Yokohama 227-8502, Japan
  • 4. Graduate School of Science and Technology, Keio University, 7-1 Shinkawasaki, Saiwai-ku, Kawasaki, Kanagawa 212-0032, Japan
  • 5. Centre for Quantum Engineering, Research and Education, TCG Centres for Research and Education in Science and Technology, Sector V, Salt Lake, Kolkata 700091, India
  • 6. Department of Applied Physics and Physico-Informatics, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama 223-8522, Japan

Description

Dynamical response functions are fundamental quantities to describe the excited-state properties in quantum many-body systems. Quantum algorithms have been proposed to evaluate these quantities by means of quantum phase estimation (QPE), where the energy spectra are directly extracted from the QPE measurement outcomes in the frequency domain. Accurate estimation of excitation energies and transition probabilities with these QPE-based approaches is, however, challenging because of the problem of spectral leakage (or peak broadening) which is inherent in the QPE algorithm. To overcome this issue, in this work we consider an extension of the QPE-based approach adopting the optimal entangled input states, which is known to achieve the Heisenberg-limited scaling for the estimation precision. We show that with this method the peaks in the calculated energy spectra are more localized than those calculated by the original QPE-based approaches, suggesting the mitigation of the spectral leakage problem. By analyzing the probability distribution with the entangled phase estimation, we propose a simple scheme to better estimate both the transition energies and the corresponding transition probabilities of the peaks of interest in the spectra. The validity of our prescription is demonstrated by numerical simulations in various quantum many-body problems: the spectral function of a simple electron-plasmon model in condensed-matter physics, the dipole transitions of the H2O molecule in quantum chemistry, and the electromagnetic transitions of the Li6 nucleus in nuclear physics.

Additional details

Identifiers

DOI
10.1103/PhysRevA.110.022618;
arXiv
arXiv:2404.19554;
Crossref Funder ID
10.13039/501100001700; 10.13039/501100001691;

Publishing Information

Journal Title
Physical Review A
Journal Volume
110
Journal Issue
2
Journal Page Range
12 pgs.
ISSN
1094-1622

Optional Information

Copyright
©2024 American Physical Society
Contract/Grant/Project number
JPMXS0118067285; JPMXS0120319794
Notes
Record automatically processed
Funding organization
Ministry of Education, Culture, Sports, Science and Technology; Japan Society for the Promotion of Science