Authors
Nicholas C Rubin, Joonho Lee, Ryan Babbush
Publication date
2022/2/15
Journal
Journal of Chemical Theory and Computation
Volume
18
Issue
3
Pages
1480-1488
Publisher
American Chemical Society
Description
The most efficient known quantum circuits for preparing unitary coupled cluster states and applying Trotter steps of the arbitrary basis electronic structure Hamiltonian involve interleaved sequences of Fermionic Gaussian circuits and Ising interaction-type circuits. These circuits arise from factorizing the two-body operators generating those unitaries as a sum of squared one-body operators that are simulated using product formulas. We introduce a numerical algorithm for performing this factorization that has an iteration complexity no worse than single particle basis transformations of the two-body operators and often results in many times fewer squared one-body operators in the sum of squares, compared to the analytical decompositions. As an application of this numerical procedure, we demonstrate that our protocol can be used to approximate generic unitary coupled cluster operators and prepare the necessary …
Total citations
20212022202320242875
Scholar articles
NC Rubin, J Lee, R Babbush - Journal of Chemical Theory and Computation, 2022