Bayesian Inverse Quantum Theory

Abstract

A Bayesian approach is developed to determine quantum mechanical potentials from empirical data. Bayesian methods, combining empirical measurements and "a priori" information, provide flexible tools for such empirical learning problems. The paper presents the basic theory, concentrating in particular on measurements of particle coordinates in quantum mechanical systems at finite temperature. The computational feasibility of the approach is demonstrated by numerical case studies. Finally, it is shown how the approach can be generalized to such many-body and few-body systems for which a mean field description is appropriate. This is done by means of a Bayesian inverse Hartree-Fock approximation.