The documentations including the user guide on how to use the TDAP code can be found here.

The following papers describe the method and practical implementation of the TDAP package:

  • C. Lian, M.X. Guan, S.Q. Hu, J. Zhang, S. Meng. Photoexcitation in solids: First-principles quantum simulations by real-time TDDFT. Adv. Theo. Simul. 1, 1800055 (2018).

  • W. Ma, J. Zhang, L. Yan, Y. Jiao, Y. Gao, S. Meng. Recent progresses in real-time local-basis implementation of time dependent density functional theory for electron-nucleus dynamics. Comp. Mater. Sci. 112, 478 (2016).

  • J. Ren, E. Kaxiras, S. Meng. Optical properties of clusters and molecules from real-time time-dependent density functional theory using a self-consistent field. Molecular Physics 108, 1829 (2010).

  • S. Meng, E. Kaxiras. Local basis-set and real time implementation of time-dependent density-functional theory for excited state dynamics simulations. J. Chem. Phys. 129, 054110 (2008).

2015 The TDAP team