|
level |
type of functions |
no. of even-tempered Gaussians |
|
1 |
atom-centred s functions |
4 |
|
2 |
atom-centred s functions |
8 |
|
3 |
atom-centred s functions plus one s function (a = 0.5) at midpoint of nearest-neighbour bonds |
8 |
Table 3
- Quality of auxiliary basis set for the three available levels of accuracy of computational parameter 3.