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

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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. Journal of Computational Chemistry, 37(16):1425-1441, 2016. [doi]

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