Sentence examples for basis set is used from inspiring English sources

A double zeta basis plus polarization (DZP) orbital basis set is used for all the atoms.

The 6-31G* baset set is used for describing electrons of the carbon atoms.

In the study, DZP basis sets are used for H, C, N, and O atoms, while a DZ basis set is used for the gold atom.

The basis set has been designed by testing the convergence and consistency of the calculated spectroscopic properties of these molecules and the final basis set is used for this calculation.

If larger basis set is used, in which for example, there is one-one GTO for 1 s- and 2 p-like molecule orbitals for a H atom in the system, let the LCAO parameters be 1.0 for 1 s and 0.0 for 2 p, etc., but more simply, all can be 1.0 also.

However, SCS-MP2 is usually more accurate than B3LYP when a larger basis set is used, such as the one used in this work.

The DZP (siesta) basis set was used.

The DZP basis set was used.

B3LYP and B3P86 functionals with 6-31G** baset set were used.

The projected augmented wave (PAW) method[25, 26] with a plane wave basis set was used.

The aug-cc-pVDZ basis set was used for the comparison of all methods.