(1s 2 2s 2 2p 2 ) 3 P Cl 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3121.
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 | 6.994640 | 1.09214682 |
| 2 | 3p | 8.776494 | -.10816983 |
| 3 | 2p | 17.170446 | .01302220 |
| 4 | 5p | 21.834312 | .00232774 |
| 5 | 5p | 7.233425 | .00682544 |
| ORB.ENERGY,a.u. | -21.766000 | ||
| NORM | 1.000000 | < R > | .351278 | < R2 > | .149604 | < 1/R > | 3.605038 | < 1/R**2 > | 17.622747 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.330174 | .38680698 |
| 2 | 2s | 6.713175 | -.83127966 |
| 3 | 3s | 8.505546 | -.28843207 |
| 4 | 4s | 31.638580 | .00102009 |
| 5 | 5s | 18.743479 | -.00758604 |
| 6 | 5s | 10.606709 | .02696398 |
| ORB.ENERGY,a.u. | -23.265000 | ||
| NORM | 1.000000 | < R > | .403786 | < R2 > | .190976 | < 1/R > | 3.636725 | < 1/R**2 > | 53.631815 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.148488 | .94356857 |
| 2 | 1s | 25.286416 | .05703997 |
| 3 | 2s | 13.402794 | .02112381 |
| 4 | 3s | 21.585757 | -.01223696 |
| 5 | 4s | 18.154525 | -.00797138 |
| 6 | 5s | 42.530326 | .00085355 |
| 7 | 3s | 75.730531 | -.00003888 |
| ORB.ENERGY,a.u. | -121.620000 |
| NORM | 1.000000 | < R > | .090728 | < R2 > | .011030 | < 1/R > | 16.625450 | < 1/R**2 > | 556.388734 |
Total Energy= -381.16304012 a.u.
Kinetic Energy= 381.16304847 a.u.
Potential Energy= -762.32608859 a.u.
Virial Ratio = -1.99999998