output
20072025
most citedProgress in Time-Dependent Density-Functional Theory

970 citations

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Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

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Showing 2017Show all

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physics.chem-ph2017★ 11 cited

Partial Density of States Ligand Field Theory (PDOS-LFT): Recovering a LFT-Like Picture and Application to Photoproperties of Ruthenium(II) Polypyridine Complexes

Denis Magero, Mark E. Casida, George Amolo +2

Gas phase density-functional theory (DFT) and time-dependent DFT (TD-DFT) calculations are reported for a data base of 98 ruthenium(II) polypyridine complexes. Comparison with X-ra…