Fundamental Study of Density Functional Theory Applied to Triplet State
Reactivity: Introduction of the TRIP50 Dataset
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William B. Hughes, Mihai V. Popescu, Robert S. Paton (2025)
Highlighted by Jan Jensen
While this paper presents an interesting and useful benchmark and d...
1 week ago
1 comment:
Example: in equation 3.1, the density is a function of r1, but later in the book r is used. What's the difference?
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