Improved modeling of dynamic quantum systems using exact Lindblad master equations

The theoretical description of the interplay between coherent evolution and chemical exchange, originally developed for magnetic resonance and later applied to other spectroscopic regimes, was derived under incorrect statistical assumptions. Correcting these assumptions provides access to the exact form of the chemical exchange interaction, which we derive within the Lindblad master equation formalism for generality. The exact form of the interaction is only different from the traditional equation by a scalar correction factor derived from higher-order interactions and regularly improves the radius of convergence of the solution (hence increasing the allowable step size in calculations) by up to an order of magnitude for no additional computational cost.

Duke Scholars

Author Warren S. Warren Chemistry