(1s 2 2s 2 2p 5 5p 1 ) 3 S S 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 5p- electron | |
| 1 | 2p | 4.690383 | .18354929 |
| 2 | 3p | 2.139150 | -1.55098043 |
| 3 | 4p | 1.716948 | 3.72597790 |
| 4 | 5p | 1.510021 | -2.81030606 |
| 5 | 2p | 9.417490 | .04376274 |
| 6 | 5p | 14.446032 | .00283303 |
| 7 | 5p | 1.503053 | -.14769261 |
| 8 | 4p | 34.398189 | -.00013973 |
| ORB.ENERGY,a.u. | -1.143200 | ||
| NORM | .999999 | < R > | 4.472123 | < R2 > | 22.483779 | < 1/R > | .322176 | < 1/R**2 > | .393520 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.366867 | 1.20732315 |
| 2 | 3p | 6.333171 | -.27939525 |
| 3 | 2p | 12.137014 | .07111679 |
| 4 | 4p | 14.606459 | .01082966 |
| 5 | 5p | 1.632052 | .00297954 |
| 6 | 4p | 1.866447 | -.00523698 |
| 7 | 5p | 37.290517 | -.00013803 |
| 8 | 5p | 2.894599 | .00291709 |
| ORB.ENERGY,a.u. | -11.721000 | ||
| NORM | 1.000000 | < R > | .420083 | < R2 > | .217360 | < 1/R > | 3.070542 | < 1/R**2 > | 13.051088 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.879313 | .38226568 |
| 2 | 2s | 6.652666 | -.83786723 |
| 3 | 3s | 5.953981 | -.30444347 |
| 4 | 4s | 19.234953 | .00369805 |
| 5 | 3s | 18.222283 | .00695093 |
| 6 | 5s | 38.183806 | .00046791 |
| 7 | 5s | 4.751465 | -.00390879 |
| 8 | 4s | 3.523863 | .00244245 |
| 9 | 3s | 1.844873 | -.00025288 |
| ORB.ENERGY,a.u. | -12.649000 | ||
| NORM | 1.000000 | < R > | .462648 | < R2 > | .252644 | < 1/R > | 3.159551 | < 1/R**2 > | 40.933057 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.178339 | .92259895 |
| 2 | 1s | 22.236296 | .07366184 |
| 3 | 2s | 9.332928 | .02086136 |
| 4 | 3s | 11.616782 | -.02140246 |
| 5 | 4s | 14.461077 | .01064031 |
| 6 | 5s | 38.186327 | .00076374 |
| 7 | 4s | 88.990733 | -.00003671 |
| ORB.ENERGY,a.u. | -95.404000 |
| NORM | 1.000000 | < R > | .097015 | < R2 > | .012643 | < 1/R > | 15.580142 | < 1/R**2 > | 489.472968 |
Total Energy= -378.41266457 a.u.
Kinetic Energy= 378.42703528 a.u.
Potential Energy= -756.83969985 a.u.
Virial Ratio = -1.99996203