Sentence examples for basis set were applied from inspiring English sources

Therefore, to model this situation correctly, the DFT with LDA and a double-ζ-polarized basis set were applied [22].

The 6-31G d,p) basis set was applied for the C, N, O, H elements and the SDD[ 26] pseudopotential for Ru.

All electron treatment and double numerical plus polarization basis sets are applied for silicon atoms.

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

For the Pd atoms, also a single zeta basis set has been applied.

In MD the specific symbol would be the force field atom type while in QM this would be used to specify which basis set should be applied.

The split-valence double-zeta (6-31G) basetssets [28] were used for C and H atoms, while correlation-consistent polarized valence double-zeta (cc-pVDZ) basis sets [29] were applied for Cr and O atoms.

The optimized local basis set is able to achieve high accuracy with a small number of basis functions per atom when applied to a one dimensional model problem.

The 6 31G** basis set was used.

The 6-31G** baset set was used.

An example of a basis set is the familiar set of sinusoids at all frequencies.