(1s 1 2s 1 ) 1 S Cl 15+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1020.
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 | 2s- electron | |
| 1 | 1s | 5.756982 | .60285789 |
| 2 | 2s | 7.324400 | -1.11647423 |
| 3 | 3s | 10.461880 | -.47999681 |
| 4 | 4s | 12.472947 | .05065865 |
| 5 | 5s | 21.808932 | -.00555800 |
| 6 | 5s | 5.728015 | -.00122913 |
| 7 | 3s | 52.434384 | -.00005980 |
| ORB.ENERGY,a.u. | -33.590000 | ||
| NORM | 1.000000 | < R > | .366640 | < R2 > | .153583 | < 1/R > | 3.226387 | < 1/R**2 > | 17.448618 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.276152 | 1.02294201 |
| 2 | 2s | 19.421171 | .02111312 |
| 3 | 3s | 9.676512 | -.22520523 |
| 4 | 4s | 35.436776 | .00066935 |
| 5 | 5s | 13.024875 | .02292593 |
| 6 | 4s | 7.962575 | -.00864598 |
| 7 | 3s | 54.956503 | .00005395 |
| ORB.ENERGY,a.u. | -141.970000 |
| NORM | 1.000000 | < R > | .086999 | < R2 > | .012378 | < 1/R > | 17.829720 | < 1/R**2 > | 626.248906 |
Total Energy= -177.45189460 a.u.
Kinetic Energy= 177.38281219 a.u.
Potential Energy= -354.83470679 a.u.
Virial Ratio = -2.00038945