Hybrid algorithm for the time-dependent Hartree-Fock method using the Yang-Baxter equation on quantum computers
Abstract
The time-dependent Hartree-Fock (TDHF) method is an approach to simulate the mean field dynamics of electrons within the assumption that the electrons move independently in their self-consistent average field and within the space of single Slater determinants. One of the major advantages of performing time dynamics within Hartree-Fock theory is the free fermionic nature of the problem, which makes TDHF classically simulatable in polynomial time. Here, we present a hybrid TDHF implementation for quantum computers. This quantum circuit grows with time; but with our recent work on circuit compression via the Yang-Baxter equation (YBE), the resulting circuit is constant depth. This study provides a new way to simulate TDHF with the aid of a quantum device as well as provides a new direction for the application of YBE symmetry in quantum chemistry simulations.
Keywords
Cite
@article{arxiv.2309.00737,
title = {Hybrid algorithm for the time-dependent Hartree-Fock method using the Yang-Baxter equation on quantum computers},
author = {Sahil Gulania and Stephen K. Gray and Yuri Alexeev and Bo Peng and Niranjan Govind},
journal= {arXiv preprint arXiv:2309.00737},
year = {2023}
}
Comments
arXiv admin note: text overlap with arXiv:2112.01690