Methods and Software Spin-Orbit Couplings Based on Density Functional TheoryPySOC, a new program for fast and flexible computation of spin-orbit couplings. By Mario Barbatti, 10 yearsJanuary 3, 2017 ago
Review Surface Hopping with DFT Excited StatesWhen and how to do surface hopping with DFT. By Mario Barbatti, 11 yearsFebruary 11, 2015 ago