Yanjie Li, Sihong Shao
This paper studies the Fourier spectral method (FSM) for the Schrödinger equation with singular potentials $V \in H^{s}$, where $s > \max\{d/2-2,-1\}$ and $d$ denotes the spatial dimension. This setting includes a broad class of singular potentials, such as the 3D Coulomb potential and the 1D Dirac-delta potential. First, we combine the Feshbach-Schur map with a refined perturbation argument to derive sharp convergence orders for FSM, yielding order $2s+2$ for eigenvalues and order $s+1$ for eigenfunctions in the $H^1$ norm. More importantly, the $H^1$ error with respect to the projected eigenfunction converges with a higher order $s+1+b$, where $b=\min\{s+2-d/2-\varepsilon,\; s+1,\; 2\}>0$ for arbitrarily small $\varepsilon>0$, revealing a super-convergence phenomenon. Second, in the presence of potentials with isolated point singularities, we develop an asymptotic-recovery (AR) technique to post-process the FSM solutions. The resulting method, dubbed AR-FSM, fully exploits the super-convergence property and achieves convergence orders $2s+2+2b$ for eigenvalues and $s+1+b$ for eigenfunctions in the $H^1$ norm, while the AR post-processing requires only a computational cost that is linear in the number of FSM degrees of freedom. The analysis introduces a rigorous definition of point singularities and develops a foundational framework for their study. It further establishes an asymptotic expansion of eigenfunctions consisting of a regular component in $H^{s+4}$ together with $d+1$ asymptotic functions associated with each singular point. Numerical experiments confirm the sharpness of these theoretical bounds.