External source method for Kubo‐transformed quantum correlation functions

Abstract

We revisit the external source method for Kubo-transformed quantum correlation functions recently proposed by Krishna and Voth. We derive an exact formula and show that the Krishna-Voth formula can be derived as an approximation of our formula. Some properties of this approximation are clarified through a model calculation of the position autocorrelation function for a onedimensional harmonic oscillator. A key observation is that the Krishna-Voth correlation function has a term which behaves as the secular term in perturbation theory.