A fermionic operator circuit is a product of fermionic operators of usually different and partially overlapping support. Further elements of fermionic operator circuits (FOCs) are partial traces and partial projections. The presented framework allows for the introduction of fermionic versions of known qudit operator circuits (QUOC), important for the simulation of strongly correlated
d-dimensional systems: the multiscale entanglement renormalization ans\"atze (MERA), tree tensor networks (TTN), projected entangled pair states (PEPS), or their infinite-size versions (iPEPS etc.). After the definition of a FOC, we present a method to contract it with the same computation and memory requirements as a corresponding QUOC, for which all fermionic operators are replaced by qudit operators of identical dimension. A given scheme for contracting the QUOC relates to an analogous scheme for the corresponding fermionic circuit, where additional marginal computational costs arise only from reordering of modes for operators occurring in intermediate stages of the contraction. Our result hence generalizes efficient schemes for the simulation of
d-dimensional spin systems, as MERA, TTN, or PEPS to the fermionic case.
We introduce a scheme for efficiently describing pure states of strongly correlated fermions in higher dimensions using unitary circuits featuring a causal cone. A local way of computing local expectation values is presented. We formulate a dynamical reordering scheme, corresponding to time-adaptive Jordan-Wigner transformation, that avoids nonlocal string operators. Primitives of such a reordering scheme are highlighted. Fermionic unitary circuits can be contracted with the same complexity as in the spin case. The scheme gives rise to a variational description of fermionic models not suffering from a sign problem. We present numerical examples in a $9\ifmmode\times\else\texttimes\fi{}9$ and $6\ifmmode\times\else\texttimes\fi{}6$ fermionic lattice model to show the functioning of the approach.
Abstract Quantum computers promise to revolutionise molecular electronic simulations by overcoming the exponential memory scaling. While electronic wave functions can be represented using a product of fermionic unitary operators, the best ansatz for strongly correlated electronic systems is far from clear. In this contribution, we construct universal wave functions from gate-efficient, spin symmetry-preserving fermionic operators by introducing an algorithm that globally optimises the wave function in the discrete ansatz design and continuous parameter spaces. Our approach maximises the accuracy that can be obtained with near-term quantum circuits and provides a practical route for designing ansätze in the future. Numerical simulations for strongly correlated molecules, including water and molecular nitrogen, and the condensed-matter Hubbard model, demonstrate the improved accuracy of gate-efficient quantum circuits for simulating strongly correlated chemistry.