Exactly solvable Hamiltonian fragments obtained from a direct sum of Lie algebras.

Exactly solvable Hamiltonians are useful in the study of quantum many-body systems using quantum computers. In the variational quantum eigensolver, a decomposition of the target Hamiltonian into exactly solvable fragments can be used for the evaluation of the energies via repeated quantum measurements. In this work, we apply more general classes of exactly solvable qubit Hamiltonians than previously considered to address the Hamiltonian measurement problem. The most general exactly solvable Hamiltonians we use are defined by the condition that within each simultaneous eigenspace of a set of Pauli symmetries, the Hamiltonian acts effectively as an element of a direct sum of so(N) Lie algebras and can, therefore, be measured using a combination of unitaries in the associated Lie group, Clifford unitaries, and mid-circuit measurements. The application of such Hamiltonians to decomposing molecular electronic Hamiltonians via graph partitioning techniques shows a reduction in the total number of measurements required to estimate the expectation value compared to previously used exactly solvable qubit Hamiltonians.

Extension of Exactly-Solvable Hamiltonians Using Symmetries of Lie Algebras.

Exactly solvable Hamiltonians that can be diagonalized by using relatively simple unitary transformations are of great use in quantum computing. They can be employed for the decomposition of interacting Hamiltonians either in Trotter-Suzuki approximations of the evolution operator for the quantum phase estimation algorithm or in the quantum measurement problem for the variational quantum eigensolver. One of the typical forms of exactly solvable Hamiltonians is a linear combination of operators forming a modestly sized Lie algebra. Very frequently, such linear combinations represent noninteracting Hamiltonians and thus are of limited interest for describing interacting cases. Here, we propose an extension in which the coefficients in these combinations are substituted by polynomials of the Lie algebra symmetries. This substitution results in a more general class of solvable Hamiltonians, and for qubit algebras, it is related to the recently proposed noncontextual Pauli Hamiltonians. In fermionic problems, this substitution leads to Hamiltonians with eigenstates that are single Slater determinants but with different sets of single-particle states for different eigenstates. The new class of solvable Hamiltonians can be measured efficiently using quantum circuits with gates that depend on the result of a midcircuit measurement of the symmetries.