Master equations make spin-mapping faster and better
Advantages of GQME/spin-mapping over alternative methods. Colours from blue to brown correspond to increasing asymmetry in the system. The correct long-time populations are shown with dashed lines.
Normally in computational chemistry, one must find a compromise between accuracy and efficiency. Not here! The generalized quantum master equation (GQME) provides a formalism in which you can predict accurate long-time results from approximate short-time data. In this new paper, we show how this significantly improves predictions from the spin-mapping method, even in difficult cases where the standard Ehrenfest method fails dramatically.
“Quasiclassical approaches to the generalized quantum master equation”G. Amati, M. A. C. Saller, A. Kelly & J. O. Richardson