Highly efficient implementation of pseudospectral time-dependent density-functional theory for the calculation of excitation energies of large molecules

Yixiang X. Cao, Thomas Hughes, Dave Giesen, Mathew D. Halls, Alexander Goldberg, Tati Reddy Vadicherla, G. Madhavi Sastry, Bhargav Patel, Woody Sherman, Andrew L. Weisman, Richard A. Friesner. Highly efficient implementation of pseudospectral time-dependent density-functional theory for the calculation of excitation energies of large molecules. Journal of Computational Chemistry, 37(16):1425-1441, 2016. [doi]

@article{CaoHGHGVSPSWF16,
  title = {Highly efficient implementation of pseudospectral time-dependent density-functional theory for the calculation of excitation energies of large molecules},
  author = {Yixiang X. Cao and Thomas Hughes and Dave Giesen and Mathew D. Halls and Alexander Goldberg and Tati Reddy Vadicherla and G. Madhavi Sastry and Bhargav Patel and Woody Sherman and Andrew L. Weisman and Richard A. Friesner},
  year = {2016},
  url = {http://onlinelibrary.wiley.com/doi/10.1002/jcc.24350/full},
  researchr = {https://researchr.org/publication/CaoHGHGVSPSWF16},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computational Chemistry},
  volume = {37},
  number = {16},
  pages = {1425-1441},
}