Convergence Characteristics of the Cumulant Expansion for Fourier Path Integrals

Abstract: The cumulant representation of the Fourier path integral method is examined to determine the asymptotic convergence characteristics of the imaginary-time density matrix with respect to the number of path variables $N$ included. It is proved that when the cumulant expansion is truncated at order $p$, the asymptotic convergence rate of the density matrix behaves like $N<sup>{-(2p+1)}$. The complex algebra associated with the proof is simplified by introducing a diagrammatic representation of the contributing terms along with an associated linked-cluster theorem. The cumulant terms at each order are expanded in a series such that the the asymptotic convergence rate is maintained without the need to calculate the full cumulant at order $p$. Using this truncated expansion of each cumulant at order $p$, the numerical cost in developing Fourier path integral expressions having convergence order $N<sup>{-(2p+1)}$ is shown to be approximately linear in the number of required potential energy evaluations making the method promising for actual numerical implementation.