(1s 1 3s 1 ) 3 S C 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.080257 | .28445090 |
| 2 | 2s | 2.133189 | -1.17329983 |
| 3 | 3s | 1.670743 | 1.79410018 |
| 4 | 4s | 2.875645 | -.23533112 |
| 5 | 5s | 5.212776 | -.02559881 |
| 6 | 5s | 1.319534 | -.00486091 |
| 7 | 4s | 21.118155 | -.00005791 |
| 8 | 3s | .607226 | .00048281 |
| ORB.ENERGY,a.u. | -1.479200 | ||
| NORM | .999999 | < R > | 2.555804 | < R2 > | 7.415284 | < 1/R > | .571572 | < 1/R**2 > | 1.905517 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.894399 | .75800398 |
| 2 | 1s | 6.101041 | .25570853 |
| 3 | 2s | 6.070604 | -.01440453 |
| 4 | 3s | 6.735664 | -.00137923 |
| 5 | 4s | 6.859296 | .00012643 |
| 6 | 5s | 11.947551 | -.00020203 |
| ORB.ENERGY,a.u. | -17.479000 |
| NORM | 1.000000 | < R > | .249966 | < R2 > | .083323 | < 1/R > | 6.001280 | < 1/R**2 > | 72.030449 |
Total Energy= -19.45714122 a.u.
Kinetic Energy= 19.46998450 a.u.
Potential Energy= -38.92712573 a.u.
Virial Ratio = -1.99934035