Calculation of generating function in many-body systems with quantum computers: technical challenges and use in hybrid quantum-classical methods

Abstract

The generating function of a Hamiltonian $H$ is defined as $F(t)=\langle e^{-itH}\rangle$, where $t$ is the time and where the expectation value is taken on a given initial quantum state. This function gives access to the different moments of the Hamiltonian $\langle H^{K}\rangle$ at various orders $K$. The real and imaginary parts of $F(t)$ can be respectively evaluated on quantum computers using one extra ancillary qubit with a set of measurement for each value of the time $t$. The low cost in terms of qubits renders it very attractive in the near term period where the number of qubits is limited. Assuming that the generating function can be precisely computed using quantum devices, we show how the information content of this function can be used a posteriori on classical computers to solve quantum many-body problems. Several methods of classical post-processing are illustrated with the aim to predict approximate ground or excited state energies and/or approximate long-time evolutions. This post-processing can be achieved using methods based on the Krylov space and/or on the $t$-expansion approach that is closely related to the imaginary time evolution. Hybrid quantum-classical calculations are illustrated in many-body interacting systems using the pairing and Fermi-Hubbard models.