Spectral decomposition and high-accuracy Greens functions: Overcoming the Nyquist-Shannon limit via complex-time Krylov expansion

The accurate computation of low-energy spectra of strongly correlated quantum many-body systems, typically accessed via Greens-functions, is a long-standing problem posing enormous challenges to practically all numerical methods. When the spectral decomposition is obtained from Fourier transforming a time series, the Nyquist-Shannon theorem limits the frequency resolution ∆ω according to the numerically accessible time domain size T via ∆ω = 2/T . In tensor network methods, increasing the domain size is exponentially hard due to the ubiquitous spread of correlations, limiting the frequency resolution and thereby restricting this ansatz class mostly to one-dimensional systems with small quasi-particle velocities. Here, we show how this fundamental limitation can be overcome using complex-time Krylov spaces. At the example of the critical S − 1/2 Heisenberg model and light bipolarons in the two-dimensional Su-Schrieffer-Heeger model, we demonstrate the enormous improvements in accuracy, which can be achieved using this method.