TABLE II.
Number of basis functions in the basis sets used in this work for selected elements (Si, C, O, and Mg).
Si | C | O | Mg | |
---|---|---|---|---|
SZV-GTH | 4 | 4 | 4 | 5 |
DZVP-GTH | 13 | 13 | 13 | 14 |
TZVP-GTH | 17 | 17 | 17 | 18 |
TZV2P-GTH | 22 | 22 | 22 | 23 |
QZV2P-GTH | 26 | 26 | 26 | 27 |
QZV3P-GTH | 31 | 31 | 31 | 32 |
unc-def2-SVP-GTH | 40 | 41 | 40 | 53 |
unc-def2-TZVP-GTH | 62 | 58 | 57 | 68 |
unc-def2-QZVP-GTH | 90 | 83 | 81 | 86 |