×

On computing bound states of the Dirac and Schrödinger Equations. arXiv:2107.02252

Preprint, arXiv:2107.02252 [quant-ph] (2021).
Summary: We cast the quantum chemistry problem of computing bound states as that of solving a set of auxiliary eigenvalue problems for a family of parameterized compact integral operators. The compactness of operators assures that their spectrum is discrete and bounded with the only possible accumulation point at zero. We show that, by changing the parameter, we can always find the bound states, i.e., the eigenfunctions that satisfy the original equations and are normalizable. While for the non-relativistic equations these properties may not be surprising, it is remarkable that the same holds for the relativistic equations where the spectrum of the original relativistic operators does not have a lower bound. We demonstrate that starting from an arbitrary initialization of the iteration leads to the solution, as dictated by the properties of compact operators.

MSC:

45G15 Systems of nonlinear integral equations
65R15 Numerical methods for eigenvalue problems in integral equations
81Q05 Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics
81Q10 Selfadjoint operator theory in quantum theory, including spectral analysis
arXiv data are taken from the arXiv OAI-PMH API. If you found a mistake, please report it directly to arXiv.