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.
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.
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.
Abstract Necessary and sufficient conditions for quantum Hamiltonians to be exactly solvable within mean-field (MF) theories have not been formulated so far. To resolve this problem, first, we define what MF theory is, independently of a Hamiltonian realization in a particular set of operators. Second, using a Lie-algebraic framework we formulate a criterion for a Hamiltonian to be MF solvable. The criterion is applicable for both distinguishable and indistinguishable particle cases. For the electronic Hamiltonians, our approach reveals the existence of MF solvable Hamiltonians of higher fermionic operator powers than quadratic. Some of the MF solvable Hamiltonians require different sets of quasi-particle rotations for different eigenstates, which reflects a more complicated structure of such Hamiltonians.
Lie groups, and therefore Lie algebras, are fundamental structures in quantum physics that determine the space of possible trajectories of evolving systems. However, classification and characterization methods for these structures are often impractical for larger systems. In this work, we provide a comprehensive classification of Lie algebras generated by an arbitrary set of Pauli operators, from which an efficient method to characterize them follows. By mapping the problem to a graph setting, we identify a reduced set of equivalence classes: the free-fermionic Lie algebra, the set of all anti-symmetric Paulis on n qubits, the Lie algebra of symplectic Paulis on n qubits, and the space of all Pauli operators on n qubits, as well as controlled versions thereof. Moreover, out of these, we distinguish 6 Clifford inequivalent cases and find a simple set of canonical operators for each, which allow us to give a physical interpretation of the dynamics of each class. Our findings reveal a no-go result for the existence of small Lie algebras beyond the free-fermionic case in the Pauli setting and offer efficiently computable criteria for universality and extendibility of gate sets. These results bear significant impact in ideas in a number of fields like quantum control, quantum machine learning, or classical simulation of quantum circuits.
Conservation of symmetries is crucial for reliable quantum simulations of molecular systems, yet compact circuit implementations of fully symmetry-adapted fermionic unitaries have remained elusive beyond the simplest excitation classes. Here we address this issue for the set of singlet spin-adapted generalized singles and doubles operators (saGSD). Using the Wei--Norman approach, we derive exact product formulas that express spin-adapted fermionic unitaries as products of elementary spin-orbital unitaries. To obtain closed-form parameters in the more challenging 28- and 84-dimensional dynamical Lie algebras, we develop a computational discovery-and-verification protocol combining numerical optimization, parameter-structure identification, closed-form inference, and exact validation against reduced Wei--Norman equations. We also introduce an algorithm for constructing closed-form fermionic unitary transformations on Krylov subspaces and extend the fermionic-excitation-based circuit formalism to generators consisting of an anti-Hermitian fermionic string multiplied by arbitrary linear combinations of number-operator products. Together, these developments yield the most compact circuits to date for exact implementation of saGSD unitaries. Finally, for non fully spin-polarized systems, we identify a compact universal symmetry-adapted subset of saGSD that further reduces the quantum resources required for chemically relevant simulations.
Necessary and sufficient conditions for quantum Hamiltonians to be exactly solvable within mean-field theories have not been formulated so far. To resolve this problem, first, we define what mean-field theory is, independently of a Hamiltonian realization in a particular set of operators. Second, using a Lie-algebraic framework we formulate a criterion for a Hamiltonian to be mean-field solvable. The criterion is applicable for both distinguishable and indistinguishable particle cases. For the electronic Hamiltonians, our approach reveals the existence of mean-field solvable Hamiltonians of higher fermionic operator powers than quadratic. Some of the mean-field solvable Hamiltonians require different sets of quasi-particle rotations for different eigenstates, which reflects a more complicated structure of such Hamiltonians.
The number of exactly solvable eigenvalue problems has been rapidly increasing since the advent of quantum mechanics and there are many efficient ways to treat them. As a general rule, it is possible to write exactly solvable abstract eigenvalue equations in terms of the generators of finite-dimensional Lie algebras and solve them by means of purely algebraic methods. Matrix elements are commonly necessary for the application of perturbation theory and variational principles, among other approximate methods. The chapter discusses examples of three-dimensional Lie algebras with well-known quantum-mechanical realizations. Typically, exactly solvable quantum-mechanical problems are either onedimensional models or lead to separable equations in many dimensions. In the coordinate representation both cases reduce to ordinary differential equations of second order that determine the eigenvalues and separation constants compatible with the physical boundary conditions. In its purest form, a Lie algebraic method is representation-independent. Extensive application of algebraic methods to selected physical problems is already available elsewhere.