Efficient computational modeling of electronic stopping power of organic polymers for proton therapy optimization

Abstract

This comprehensive study delves into the intricate interplay between protons and organic polymers, ofering insights into proton therapy in cancer treatment. Focusing on the infuence of the spatial electron density distribution on stopping power estimates, we employed real-time time-dependent density functional theory coupled with the Penn method. Surprisingly, the assumption of electron density homogeneity in polymers is fundamentally fawed, resulting in an overestimation of stopping power values at energies below 2 MeV. Moreover, the Bragg rule application in specifc compounds exhibited signifcant deviations from experimental data around the stopping maximum, challenging established norms.