g-xTB: A General-Purpose Extended Tight-Binding Electronic Structure Method
For the Elements H to Lr (Z=1–103)
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Thomas Froitzheim, Marcel Müller, Andreas Hansen, and Stefan Grimme (2025)
Highlighted by Jan Jensen
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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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