(1s 2 4s 1 ) 2 S Cl 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 11.474790 | .19962494 |
| 2 | 2s | 4.547540 | -1.68130635 |
| 3 | 3s | 3.773007 | 5.28813090 |
| 4 | 4s | 3.774893 | -4.66255238 |
| 5 | 5s | 5.651579 | .29355648 |
| 6 | 4s | 10.144647 | -.08938598 |
| 7 | 5s | 30.592257 | .00139295 |
| 8 | 4s | 40.183382 | .00038954 |
| 9 | 5s | 1.705918 | .00018633 |
| ORB.ENERGY,a.u. | -7.223200 | ||
| NORM | 1.000001 | < R > | 1.562270 | < R2 > | 2.745597 | < 1/R > | .951960 | < 1/R**2 > | 7.271444 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.398547 | .93881232 |
| 2 | 1s | 25.822465 | .04858448 |
| 3 | 2s | 20.388690 | .01727989 |
| 4 | 3s | 15.090982 | .00040396 |
| 5 | 4s | 53.331177 | -.00062400 |
| 6 | 5s | 62.490795 | .00021285 |
| 7 | 3s | 83.376399 | -.00004610 |
| ORB.ENERGY,a.u. | -133.510000 |
| NORM | 1.000000 | < R > | .090238 | < R2 > | .010889 | < 1/R > | 16.686288 | < 1/R**2 > | 559.647979 |
Total Energy= -285.68979142 a.u.
Kinetic Energy= 285.68981016 a.u.
Potential Energy= -571.37960158 a.u.
Virial Ratio = -1.99999993