Global convergence of an efficient splitting method for the defocusing Gross--Pitaevskii ground state problem

RESUMO

For computing the ground state of the defocusing Gross--Pitaevskii energy, we propose and analyze two efficient schemes based on the Davis--Yin three-operator splitting, which treats the potential and interaction terms explicitly, and the kinetic energy by a resolvent. One iteration costs one inversion of $I-\gamma\Delta$ for the first scheme, and of $I-\gamma\Delta+\gamma V_1$ for the second, with $V_1$ denoting the separable part of the potential, and on structured meshes both operators can be inverted by simple fast GPU solvers. For monotone discrete Laplacians, including the second-order finite difference scheme and the lumped linear finite element method on simplicial meshes with suitable angle conditions, we prove global convergence to the unique positive discrete ground state, for every positive normalized initial vector, for any constant step size below an explicit threshold. In contrast, the methods previously proven to converge globally to the ground state all invert a more difficult elliptic operator that depends on the iteration variable. In three-dimensional tests with up to $999^3$ unknowns on one GPU, a simple variable step size rule makes the proposed splitting schemes efficient in practice, comparable in wall-clock time to Riemannian conjugate gradient methods that also invert only a shifted Laplacian operator, and much more robust with respect to the choice of the initial guess.