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Article
Symmetry coordinates and group orbitals from basis functions
The gradients of the basis functions of group theory are vector-valued basis functions. When one of the components of such a gradient is evaluated at atomic positions, and the values are summed over a set of e...
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Article
Symmetry coordinates and group orbitals from basis functions
The gradients of the basis functions of group theory are vector-valued basis functions. When one of the components of such a gradient is evaluated at atomic positions, and the values are summed over a set of e...