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Relativistic time-dependent density functional theories

The foundations, formalisms, technicalities, and practicalities of relativistic time-dependent density functional theories (R-TD-DFT) for spinor excited states of molecular systems containing heavy elements are critically reviewed. These include the four-component (4C) and exact two-component (X2C) variants (4C/X2C

Authors:   Wenjian Liu; Yunlong Xiao
Journal:   Chemical Society Reviews
DOI:   10.1039/C8CS00175H
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