Complex absorbing potential based Lorentzian fitting scheme and time   dependent quantum transport
  Based on the complex absorbing potential (CAP) method, a Lorentzian expansion scheme is developed to express the self-energy. The CAP-based Lorentzian expansion of self-energy is employed to solve efficiently the Liouville-von Neumann equation of one-electron density matrix. The resulting method is applicable for both tight-binding and first-principles models, and is used to simulate the transient currents through graphene nanoribbons and a benzene molecule sandwiched between two carbon-atom-chains. 
Hang Xie, Yanho Kwok, Feng Jiang, Xiao Zheng and GuanHua Chen
cond-mat.mes-hall physics.comp-ph quant-ph