(1s 2 2s 2 2p 4 4s 1 ) 4 P S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4140.
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 | 13.097516 | .09767586 |
| 2 | 2s | 3.006773 | -1.49440495 |
| 3 | 3s | 3.112205 | 2.82214128 |
| 4 | 4s | 2.211103 | -1.77033333 |
| 5 | 5s | 4.650756 | -.20167447 |
| 6 | 4s | 13.543046 | -.01521114 |
| 7 | 5s | 31.235723 | -.00031383 |
| 8 | 5s | 1.862385 | .02607686 |
| 9 | 4s | 50.003827 | -.00010176 |
| 10 | 4s | .766172 | -.00038581 |
| ORB.ENERGY,a.u. | -2.532700 | ||
| NORM | .999999 | < R > | 2.387029 | < R2 > | 6.400309 | < 1/R > | .597801 | < 1/R**2 > | 2.894230 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.571293 | 1.14927153 |
| 2 | 3p | 6.343453 | -.22724130 |
| 3 | 2p | 12.104847 | .07390590 |
| 4 | 4p | 14.209135 | .01273867 |
| 5 | 5p | 39.648663 | -.00012851 |
| 6 | 5p | 3.963657 | -.00053494 |
| ORB.ENERGY,a.u. | -13.323000 | ||
| NORM | 1.000000 | < R > | .405075 | < R2 > | .200978 | < 1/R > | 3.163845 | < 1/R**2 > | 13.758597 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.008907 | .34459718 |
| 2 | 2s | 5.767311 | -.77965119 |
| 3 | 3s | 8.922226 | -.23997141 |
| 4 | 4s | 7.153368 | -.05519190 |
| 5 | 5s | 18.909532 | -.00856339 |
| 6 | 4s | 1.998416 | .01972131 |
| 7 | 3s | 1.647867 | -.01762684 |
| 8 | 3s | 54.745646 | -.00005997 |
| 9 | 4s | 114.387003 | .00000541 |
| 10 | 5s | 1.255528 | .00032707 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452878 | < R2 > | .241510 | < 1/R > | 3.230736 | < 1/R**2 > | 42.660848 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.157136 | .91866357 |
| 2 | 1s | 21.933459 | .07902096 |
| 3 | 2s | 7.954262 | .02248026 |
| 4 | 3s | 9.885974 | -.02507097 |
| 5 | 4s | 12.675504 | .01017985 |
| 6 | 5s | 38.931876 | .00070791 |
| 7 | 4s | 87.372131 | -.00003503 |
| 8 | 5s | 1.941893 | -.00021094 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096882 | < R2 > | .012600 | < 1/R > | 15.593536 | < 1/R**2 > | 490.119901 |
Total Energy= -367.78016738 a.u.
Kinetic Energy= 367.78956919 a.u.
Potential Energy= -735.56973657 a.u.
Virial Ratio = -1.99997444