Memory Kernel Coupling Theory: Obtain Time Correlation Function from Higher-order Moments

Abstract: Dynamical observables can often be described by time correlation functions (TCFs). However, efficiently calculating TCFs for complex quantum systems is a significant challenge, which generally requires solving the full dynamics of the systems. This Letter presents the memory kernel coupling theory (MKCT), a general formalism for evaluating TCFs. The MKCT builds upon Mori's memory kernel formalism for TCFs. Our theory further decomposes the memory kernel into auxiliary kernels. Rapid decay of auxiliary kernels allows us to truncate the coupled equations of motion with high accuracy. Notably, only higher-order moments are sufficient as the input for obtaining TCFs. While this formalism is general, we carry out the numerical demonstration for a typical open quantum system--the spin-boson model.