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"Highly efficient implementation of pseudospectral time-dependent ..."
Yixiang X. Cao et al. (2016)
- 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. J. Comput. Chem. 37(16): 1425-1441 (2016)
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