A Globalized Newton Method for the Optimal Control of Fermionic Systems

A computational framework for determining optimal control fields for inducing energy state transitions in systems of several fermions in an infinite potential quantum well is presented. The full multiparticle system is numerically approximated using linear combinations of Slater determinants constructed from nodal trial functions, which leads to diagonalized matrix approximations of variable coefficient terms. First and second order optimality conditions are given for the control and a robust line search is described for computing a local minimizer.