187 citations · 463 across the 9 of their papers we have counts for
4 papers · 1 filter
A Dynamical Theory of Electron Transfer: Crossover from Weak to Strong Electronic Coupling
Juergen T. Stockburger, C. H. Mak
We present a real-time path integral theory for the rate of electron transfer reactions. Using graph theoretic techniques, the dynamics is expressed in a formally exact way as a se…
Low-temperature dynamical simulation of spin-boson systems
Reinhold Egger, C. H. Mak
The dynamics of spin-boson systems at very low temperatures has been studied using a real-time path-integral simulation technique which combines a stochastic Monte Carlo sampling o…
Transferable Tight-Binding Potential for Hydrocarbons
Yang Wang, C. H. Mak
A transferable tight-binding potential has been constructed for heteroatomic systems containing carbon and hydrogen. The electronic degree of freedom is treated explicitly in this…
On the Mechanism of the Primary Charge Separation in Bacterial Photosynthesis
C. H. Mak, Reinhold Egger
We present a detailed analysis of the mechanism of the primary charge separation process in bacterial photosynthesis using real-time path integrals. Direct computer simulations as…