Documentation


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