(1s 1 5s 1 ) 1 S Cl 15+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 5s- electron | |
| 1 | 1s | 2.142631 | 1.11709802 |
| 2 | 2s | 4.274909 | -3.13050672 |
| 3 | 3s | 3.536848 | 8.58933257 |
| 4 | 4s | 3.014394 | -20.42817801 |
| 5 | 5s | 3.162756 | 14.52079384 |
| 6 | 2s | 10.789122 | .07334800 |
| 7 | 5s | 20.693359 | -.00280150 |
| 8 | 4s | 2.048151 | .00603475 |
| 9 | 3s | 13.259116 | -.00340503 |
| ORB.ENERGY,a.u. | -5.729900 | ||
| NORM | .999998 | < R > | 2.323008 | < R2 > | 6.047255 | < 1/R > | .606640 | < 1/R**2 > | 1.911101 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.006218 | 1.00171366 |
| 2 | 2s | 1.439186 | .29542286 |
| 3 | 3s | 7.716408 | -.05261139 |
| 4 | 4s | 9.670197 | .01805361 |
| 5 | 5s | 4.086248 | -.18560845 |
| 6 | 4s | 1.786522 | -.11834503 |
| 7 | 5s | 33.053296 | -.00004698 |
| 8 | 3s | .557038 | -.00021432 |
| ORB.ENERGY,a.u. | -144.450000 |
| NORM | 1.000000 | < R > | .090131 | < R2 > | .016472 | < 1/R > | 17.035975 | < 1/R**2 > | 580.214956 |
Total Energy= -149.67295715 a.u.
Kinetic Energy= 149.66149526 a.u.
Potential Energy= -299.33445241 a.u.
Virial Ratio = -2.00007659