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Spin-1/2 Fermion Local Pair Encoding into Qubits: Application to the 2D-Block-Diagonal Geminal Ansatz

Patrick Cassam‐Chenaï, Louis Jourdan

Published Sep 1, 2026• 0 citations
OpenAlex

Abstract

Spin-1/2 Fermions, such as electrons are usually encoded into qubits through one-particle occupancy, parity or a mix of the two. Then, Fermionic operators have to be transformed into appropriate Pauli string acting on the qubits, according to Jordan-Wigner, Parity, or Bravyi-Kitaev transformations, respectively. In the present work, we study alternative encodings in terms of Fermionic pair occupancy and the associated operator transformations. Although the scaling of the general case is not favorable neither in terms of number of qubits nor in terms of Pauli operations, some subcases can be particularly suitable to capture the physics of certain systems such as molecular electrons, with a reduced number of qubits and with transformed ladder operators localized to blocks of a few qubits only. An application to the 2D-block diagonal geminal ansatz demonstrates the usefulness of the encoding. The treatment of several molecules shows the effectiveness of the ansatz.

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Spin-1/2 Fermions, such as electrons are usually encoded into qubits through one-particle occupancy, parity or a mix of the two. Then, Fermionic operators have to be transformed into appropriate Pauli string acting on the qubits, according to Jordan-Wigner, Parity, or Bravyi-Kitaev transformations, respectively. In the present work, we study alternative encodings in terms of Fermionic pair occupancy and the associated operator transformations. Although the scaling of the general case is not favorable neither in terms of number of qubits nor in terms of Pauli operations, some subcases can be particularly suitable to capture the physics of certain systems such as molecular electrons, with a reduced number of qubits and with transformed ladder operators localized to blocks of a few qubits only. An application to the 2D-block diagonal geminal ansatz demonstrates the usefulness of the encoding. The treatment of several molecules shows the effectiveness of the ansatz.
Simulating fermionic lattice models with qubits requires mapping fermionic degrees of freedom to qubits. The simplest method for this task, the Jordan-Wigner transformation, yields strings of Pauli operators acting on an extensive number of qubits. This overhead can be a hindrance to implementation of qubit-based quantum simulators, especially in the analog context. Here we thus review and analyze alternative fermion-to-qubit mappings, including the two approaches by Bravyi and Kitaev and the auxiliary fermion transformation. The Bravyi-Kitaev transform is reformulated in terms of a classical data structure and generalized to achieve a further locality improvement for local fermionic models on a rectangular lattice. We conclude that the most compact encoding of the fermionic operators can be done using ancilla qubits with the auxiliary fermion scheme. Without introducing ancillas, a variant of the Bravyi-Kitaev transform provides the most compact fermion-to-qubit mapping for Hubbard-like models.
Quantum simulation of fermionic systems is a promising application of quantum computers, but to program them, we need to map fermionic states and operators to qubit states and quantum gates. While quantum processors may be built as two-dimensional qubit networks with couplings between nearest neighbors, standard fermion-to-qubit mappings do not account for that kind of connectivity. In this work we concatenate the (one-dimensional) Jordan-Wigner transform with specific quantum codes defined under the addition of a certain number of auxiliary qubits. This yields a class of mappings with which any fermionic system can be embedded in a two-dimensional qubit setup, fostering scalable quantum simulation. Our technique is demonstrated on the two-dimensional Fermi-Hubbard model, which we transform into a local Hamiltonian. What is more, we adapt the Verstraete-Cirac transform and Bravyi-Kitaev superfast simulation to the square lattice connectivity and compare them to our mappings. An advantage of our approach in this comparison is that it allows us to encode and decode a logical state with a simple unitary quantum circuit.
Digital quantum simulation of fermionic systems is important in the context of chemistry and physics. Simulating fermionic models on general purpose quantum computers requires imposing a fermionic algebra on qubits. The previously studied Jordan-Wigner and Bravyi-Kitaev transformations are two techniques for accomplishing this task. Here, we reexamine an auxiliary fermion construction which maps fermionic operators to local operators on qubits. The local simulation is performed by relaxing the requirement that the number of qubits should match the number of single-particle states. Instead, auxiliary sites are introduced to enable nonconsecutive fermionic couplings to be simulated with constant low-rank tensor products on qubits. The additional number of auxiliary qubits required per fermionic degree of freedom depends only on the degree of connectivity of the Hamiltonian. We connect the auxiliary fermion construction to topological models and give examples of the construction.
In order to simulate a system of fermions on a quantum computer, it is necessary to represent the fermionic states and operators on qubits. This can be accomplished in multiple ways, including the well-known Jordan-Wigner transform, as well as the parity, Bravyi-Kitaev, and ternary tree encodings. Notably, the Bravyi-Kitaev encoding can be described in terms of a classical data structure, the Fenwick tree. Here we establish a correspondence between a class of classical data structures similar to the Fenwick tree, and a class of one-to-one fermion-to-qubit transforms. We present a novel fermion-to-qubit encoding based on the recently discovered "Sierpinski tree" data structure, which matches the operator locality of the ternary tree encoding, and has the additional benefit of encoding the fermionic states as computational basis states. This is analogous to the formulation of the Bravyi-Kitaev encoding in terms of the Fenwick tree.
In our recent work, we examined various fermion-to-qubit mappings in the context of quantum simulation including the original Bravyi-Kitaev superfast encoding (OSE) as well as a generalized version (GSE). We return to OSE and compare it against the Jordan-Wigner (JW) transform for quantum chemistry considering the number of qubits required, the Pauli weight of terms in the transformed Hamiltonians, and the L1{L}_{1}L1​ norm of the Hamiltonian. We considered a test set of molecular systems known as the Atomization Energy 6 (AE6) as well as hydrogen lattices. Our results showed that the resource efficiency of OSE is strongly affected by the spatial locality of the underlying single-particle basis. We find that OSE is outperformed by JW when the orbitals in the underlying single-particle basis are highly overlapping, which limits its applicability to near-term quantum chemistry simulations utilizing standard basis sets. In contrast, when orbitals are overlapping with only few others, as is the case of hydrogen lattices with very tight orbitals, OSE fares comparatively better. Our results illustrate the importance of choosing the right combination of basis sets and fermion-to-qubit mapping to get the most out of a quantum device when simulating physical systems.
We argue that all locality-preserving mappings between fermionic observables and Pauli matrices on a two-dimensional lattice can be generated from the exact bosonization in Chen et al. [Ann.Phys.(N.Y) 393, 234 (2018)], whose gauge constraints project onto the subspace of the toric code with emergent fermions.Starting from the exact bosonization and applying Clifford finite-depth generalized local unitary transformation, we can achieve all possible fermion-to-qubit mappings (up to the re-pairing of Majorana fermions).In particular, we discover a new supercompact encoding using 1.25 qubits per fermion on the square lattice.We prove the existence of finite-depth quantum circuits to obtain fermion-to-qubit mappings with qubit-fermion ratios r = 1 + 1/2k for positive integers k, utilizing the trivialness of quantum cellular automata in two spatial dimensions.Also, we provide direct constructions of fermion-to-qubit mappings with ratios arbitrarily close to 1.When the ratio reaches 1, the fermion-to-qubit mapping reduces to the one-dimensional Jordan-Wigner transformation along a certain path in the two-dimensional lattice.Finally, we explicitly demonstrate that the Bravyi-Kitaev superfast simulation, the Verstraete-Cirac auxiliary method, Kitaev's exactly solved model, the Majorana loop stabilizer codes, and the compact fermion-to-qubit mapping can all be obtained from the exact bosonization.