Low-gate-count block encodings for second-quantized fermionic Hamiltonians

arXiv:2510.08644 · quant-ph, cs.NA, math.NA · Submitted 2025-10-09 · Read on arXiv

quant-ph, cs.NA, math.NA

Submitted: 2025-10-09

Updated: 2026-09-16

Comments: 38 pages, 23 figures

License: http://creativecommons.org/licenses/by/4.0/

The gist: Efficient block encoding of many-body Hamiltonians is a central requirement for quantum algorithms in scientific computing, particularly in the early fault-tolerant era.

Terminology

Abstract

Efficient block encoding of many-body Hamiltonians is a central requirement for quantum algorithms in scientific computing, particularly in the early fault-tolerant era. In this work, we introduce new explicit constructions for block encoding second-quantized Hamiltonians that substantially reduce Clifford+T gate complexity and ancilla overhead. By utilizing a data lookup strategy based on the SWAP architecture for the sparsity oracle O C, and a direct sampling method for the amplitude oracle O A with SELECT-SWAP architecture, we achieve a T count that scales as (sqrt L) with respect to the number of interaction terms L in general second-quantized Hamiltonians. We also achieve an improved constant factor in the Clifford gate count of our oracle. Furthermore, we design a block encoding that directly targets the η-particle subspace, thereby reducing the subnormalization factor from O(L) to O(sqrt L), and improving fault-tolerant efficiency when simulating systems with fixed particle numbers. Building on the block encoding framework developed for general many-body Hamiltonians, we extend our approach to electronic Hamiltonians whose coefficient tensors exhibit translation invariance or possess decaying structures. Our results provide a practical path toward early fault-tolerant quantum simulation of many-body systems, substantially lowering resource overheads compared to previous methods.

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