"Highly efficient implementation of pseudospectral time-dependent ..."

Yixiang X. Cao et al. (2016)

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DOI: 10.1002/JCC.24350

access: closed

type: Journal Article

metadata version: 2020-10-26

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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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