Table 5. Models for the rec-cc-pVTZ C(1s2s) Density (S = 0.456).
Q(m) |
L–1/2(m) |
L+1/2(m) |
L+3/2(m) |
|||||
---|---|---|---|---|---|---|---|---|
m | λi | ci/S | λi | ci/S | λi | ci/S | λi | ci/S |
1 | 4.031 | 1.000 | 3.386 | 1.000 | 3.685 | 1.000 | 3.976 | 1.000 |
= 6.3 × 10–1 | = 4.3 × 10–1 | = 4.9 × 10–1 | = 6.0 × 10–1 | |||||
2 | 3.273 | 0.725 | 2.349 | 0.441 | 2.835 | 0.642 | 3.284 | 0.796 |
5.098 | 0.275 | 4.445 | 0.559 | 4.954 | 0.358 | 5.454 | 0.204 | |
= 1.5 × 10–1 | = 1.6 × 10–1 | = 1.4 × 10–1 | = 2.1 × 10–1 | |||||
3 | 2.855 | 0.524 | 1.423 | 0.117 | 2.334 | 0.382 | 2.872 | 0.615 |
4.150 | 0.332 | 3.159 | 0.572 | 3.958 | 0.484 | 4.657 | 0.342 | |
5.561 | 0.144 | 5.036 | 0.312 | 5.699 | 0.134 | 6.423 | 0.043 | |
= 6.1 × 10–2 | = 1.1 × 10–1 | = 5.1 × 10–2 | = 8.7 × 10–2 | |||||
4 | 2.625 | 0.416 | 0.854 | 0.046 | 1.708 | 0.155 | 2.574 | 0.467 |
3.703 | 0.298 | 2.622 | 0.396 | 3.165 | 0.485 | 4.104 | 0.396 | |
4.715 | 0.216 | 4.027 | 0.419 | 4.646 | 0.307 | 5.504 | 0.127 | |
6.015 | 0.070 | 5.646 | 0.139 | 6.272 | 0.053 | 7.218 | 0.010 | |
= 3.1 × 10–2 | = 4.8 × 10–2 | = 1.9 × 10–2 | = 4.0 × 10–2 | |||||
5 | 2.544 | 0.370 | 0.494 | 0.023 | 1.195 | 0.071 | 2.273 | 0.321 |
3.369 | 0.167 | 2.117 | 0.187 | 2.750 | 0.403 | 3.596 | 0.412 | |
3.941 | 0.220 | 3.216 | 0.416 | 4.018 | 0.352 | 4.874 | 0.221 | |
4.877 | 0.190 | 4.554 | 0.306 | 5.279 | 0.156 | 6.180 | 0.044 | |
6.191 | 0.053 | 6.098 | 0.068 | 6.871 | 0.018 | 7.879 | 0.003 | |
= 2.6 × 10–2 | = 2.5 × 10–2 | = 9.8 × 10–3 | = 2.1 × 10–2 | |||||
6 | 2.182 | 0.143 | 0.217 | 0.013 | 0.957 | 0.049 | 1.958 | 0.201 |
2.768 | 0.281 | 1.602 | 0.081 | 2.534 | 0.318 | 3.208 | 0.416 | |
3.682 | 0.266 | 2.775 | 0.369 | 3.609 | 0.341 | 4.437 | 0.276 | |
4.457 | 0.156 | 3.924 | 0.331 | 4.732 | 0.225 | 5.576 | 0.093 | |
5.177 | 0.119 | 5.109 | 0.179 | 5.920 | 0.062 | 6.875 | 0.013 | |
6.424 | 0.035 | 6.624 | 0.028 | 7.503 | 0.006 | 8.583 | 0.001 | |
= 1.7 × 10–2 | = 1.1 × 10–2 | = 3.7 × 10–3 | = 1.2 × 10–2 |