Authors
Yuan Su, Dominic W Berry, Nathan Wiebe, Nicholas Rubin, Ryan Babbush
Publication date
2021/11/11
Journal
PRX Quantum
Volume
2
Issue
4
Pages
040332
Publisher
American Physical Society
Description
Quantum simulations of chemistry in first quantization offer some important advantages over approaches in second quantization including faster convergence to the continuum limit and the opportunity for practical simulations outside of the Born-Oppenheimer approximation. However, since all prior work on quantum simulation of chemistry in first quantization has been limited to asymptotic analysis, it has been impossible to directly compare the resources required for these approaches to those required for the more commonly studied algorithms in second quantization. Here, we compile, optimize, and analyze the finite resources required to implement two first quantized quantum algorithms for chemistry from Babbush et al.[Npj Quantum Inf. 5, 92 (2019)] that realize block encodings for the qubitization and interaction-picture frameworks of Low et al.[Quantum 3, 163 (2019), arXiv: 1805.00675 (2018)]. The two …
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