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BSSE, basis set superposition errors.
The DZP (siesta) basis set was used.
The DZP basis set was used.
■ The basis set or pseudo-potential.
The Basis Set Superposition Errors (BSSE) are accounted for.
This guarantees the linear independence of the produced basis set.
Further studies on basis set effects are ongoing.
Calculations are performed using the 6-31G* baset set.
The basis set is indicated by "2z" and "3z" which denotes the quality of the basis set.
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