(1s 2 2s 2 2p 2 ) 1 S Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1021.
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 | 2p- electron | |
| 1 | 2p | 6.936104 | 1.10484333 |
| 2 | 3p | 8.925816 | -.12582267 |
| 3 | 2p | 16.084334 | .01563736 |
| 4 | 5p | 22.565363 | .00278150 |
| 5 | 5p | 7.275206 | .01107867 |
| ORB.ENERGY,a.u. | -21.027000 | ||
| NORM | 1.000000 | < R > | .355166 | < R2 > | .153324 | < 1/R > | 3.576411 | < 1/R**2 > | 17.401115 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.274887 | .38920387 |
| 2 | 2s | 6.738949 | -.84058724 |
| 3 | 3s | 8.382647 | -.28526347 |
| 4 | 4s | 31.514201 | .00104857 |
| 5 | 5s | 18.821218 | -.00773203 |
| 6 | 5s | 10.338802 | .03172458 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .403652 | < R2 > | .190848 | < 1/R > | 3.638094 | < 1/R**2 > | 53.669146 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.150230 | .94649032 |
| 2 | 1s | 25.858237 | .05366146 |
| 3 | 2s | 14.719921 | .02151894 |
| 4 | 3s | 23.017269 | -.01113448 |
| 5 | 4s | 20.143544 | -.00899524 |
| 6 | 5s | 41.384704 | .00069336 |
| 7 | 5s | 11.207343 | .00018693 |
| 8 | 3s | 63.882276 | -.00007169 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090722 | < R2 > | .011029 | < 1/R > | 16.626167 | < 1/R**2 > | 556.426245 |
Total Energy= -381.15801475 a.u.
Kinetic Energy= 380.42621882 a.u.
Potential Energy= -761.58423357 a.u.
Virial Ratio = -2.00192362