Computation and Verification of Spectra for Non-Hermitian Systems

Abstract

We establish a connection between quantum mechanics and computation, revealing fundamental limitations for algorithms computing spectra, especially in non-Hermitian settings. Introducing the concept of locally trivial pseudospectra (LTP), we show such assumptions are necessary for spectral computation. LTP adapts dynamically to system energies, enabling spectral analysis across a broad class of challenging non-Hermitian problems. Exploiting this framework, we overcome a longstanding obstacle by computing the eigenvalues and eigenfunctions of the imaginary cubic oscillator $H_{\mathrm{B}} = p^2 + i x^3$ with error bounds and no spurious modes -- yielding, to our knowledge, the first such error-controlled result. We confirm, for instance, the 100th eigenvalue as $627.6947122484365113526737029011536\ldots$. Here, truncation-induced $\mathcal{PT}$-symmetry breaking causes spurious eigenvalues -- a pitfall our method avoids, highlighting the link between truncation and physics. Finally, we illustrate the approach's generality via spectral computations for a range of physically relevant operators. This letter provides a rigorous framework linking computational theory to quantum mechanics and offers a precise tool for spectral calculations with error bounds.