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arXiv:0705.1928

Quantum computation algorithm for many-body studies

Eirik Ovrum, Morten Hjorth-Jensen

Published May 14, 2007• 14 citations
arXivHTMLPDF

Abstract

We show in detail how the Jordan-Wigner transformation can be used to simulate any fermionic many-body Hamiltonian on a quantum computer. We develop an algorithm based on appropriate qubit gates that takes a general fermionic Hamiltonian, written as products of a given number of creation and annihilation operators, as input. To demonstrate the applicability of the algorithm, we calculate eigenvalues and eigenvectors of two model Hamiltonians, the well-known Hubbard model and a generalized pairing Hamiltonian. Extensions to other systems are discussed.

DOI
10.48550/arxiv.0705.1928

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We show in detail how the Jordan-Wigner transformation can be used to simulate any fermionic many-body Hamiltonian on a quantum computer. We develop an algorithm based on appropriate qubit gates that takes a general fermionic Hamiltonian, written as products of a given number of creation and annihilation operators, as input. To demonstrate the applicability of the algorithm, we calculate eigenvalues and eigenvectors of two model Hamiltonians, the well-known Hubbard model and a generalized pairing Hamiltonian. Extensions to other systems are discussed.
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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.
We investigate the simulation of fermionic systems on a quantum computer. We show in detail how quantum computers avoid the dynamical sign problem present in classical simulations of these systems, therefore reducing a problem believed to be of exponential complexity into one of polynomial complexity. The key to our demonstration is the spin-particle connection (or generalized Jordan-Wigner transformation) that allows exact algebraic invertible mappings of operators with different statistical properties. We give an explicit implementation of a simple problem using a quantum computer based on standard qubits.
Quantum simulation is an important application of future quantum computers with applications in quantum chemistry, condensed matter, and beyond. Quantum simulation of fermionic systems presents a specific challenge. The Jordan-Wigner transformation allows for representation of a fermionic operator by O(n) qubit operations. Here, we develop an alternative method of simulating fermions with qubits, first proposed by Bravyi and Kitaev [Ann. Phys. 298, 210 (2002); e-print arXiv:quant-ph/0003137v2], that reduces the simulation cost to O(log n) qubit operations for one fermionic operation. We apply this new Bravyi-Kitaev transformation to the task of simulating quantum chemical Hamiltonians, and give a detailed example for the simplest possible case of molecular hydrogen in a minimal basis. We show that the quantum circuit for simulating a single Trotter time step of the Bravyi-Kitaev derived Hamiltonian for H(2) requires fewer gate applications than the equivalent circuit derived from the Jordan-Wigner transformation. Since the scaling of the Bravyi-Kitaev method is asymptotically better than the Jordan-Wigner method, this result for molecular hydrogen in a minimal basis demonstrates the superior efficiency of the Bravyi-Kitaev method for all quantum computations of electronic structure.
We aim to explore a more efficient way to simulate few-body dynamics on quantum computers. Instead of mapping the second quantization of the system Hamiltonian to qubit Pauli gate representation via the Jordan-Wigner transform, we propose to use the few-body Hamiltonian matrix under the state-vector basis representation, which is more economical on the required number of quantum registers. For a single-particle excitation state on a one-dimensional chain, Γ qubits can simulate N = 2 Γ number of sites, in comparison to N qubits for N sites via the Jordan-Wigner approach. A two-band diatomic tight-binding model is used to demonstrate the effectiveness of the state-vector basis representation. Both one-particle and two-particle quantum circuits are constructed, and some numerical tests on IBM hardware are presented.