Quantum simulation of chemistry with sublinear scaling in basis size

Ryan Babbush*, Dominic W. Berry, Jarrod R. McClean, Hartmut Neven

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

19 Citations (Scopus)
6 Downloads (Pure)

Abstract

We present a quantum algorithm for simulating quantum chemistry with gate complexity Õ (N1 ∕ 3η8 ∕ 3) where η is the number of electrons and N is the number of plane wave orbitals. In comparison, the most efficient prior algorithms for simulating electronic structure using plane waves (which are at least as efficient as algorithms using any other basis) have complexity Õ (N8 ∕ 3∕ η2 ∕ 3). We achieve our scaling in first quantization by performing simulation in the rotating frame of the kinetic operator using interaction picture techniques. Our algorithm is far more efficient than all prior approaches when N ≫ η, as is needed to suppress discretization error when representing molecules in the plane wave basis, or when simulating without the Born-Oppenheimer approximation.

Original languageEnglish
Article number92
Pages (from-to)1-7
Number of pages7
JournalNpj quantum information
Volume5
Issue number1
DOIs
Publication statusPublished - 1 Nov 2019

Bibliographical note

Copyright The Author(s) 2019. Version archived for private and non-commercial use with the permission of the author/s and according to publisher conditions. For further rights please contact the publisher.

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