Approach to nonadiabatic transitions by
โ
Herman J. C. Berendsen; Janez Mavri
๐
Article
๐
1996
๐
John Wiley and Sons
๐
English
โ 791 KB
Many biological processes are characterized by an essentially quantum dynamical event, such as electron or proton transfer, in a complex classical environment. To treat such processes properly by computer simulation, allowing nonadiabatic transitions involving excited states, we recently developed a