(1s 2 2s 2 2p 1 5d 1 ) 1 F Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1352.
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 | 5d- electron | |
| 1 | 3d | 1.788535 | 3.60211366 |
| 2 | 4d | 1.802707 | -9.05177897 |
| 3 | 5d | 1.813181 | 6.11485691 |
| 4 | 3d | 5.646696 | .02501865 |
| 5 | 5d | 1.332415 | .02709665 |
| 6 | 5d | 8.341122 | -.00777753 |
| 7 | 4d | 23.966723 | .00008142 |
| 8 | 4d | .970073 | -.00771943 |
| 9 | 3d | 30.696015 | .00001818 |
| ORB.ENERGY,a.u. | -1.630900 | ||
| NORM | .999998 | < R > | 3.799497 | < R2 > | 16.399833 | < 1/R > | .366841 | < 1/R**2 > | .276615 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.632142 | 1.11983915 |
| 2 | 3p | 6.931398 | -.13898985 |
| 3 | 2p | 14.236662 | .01304184 |
| 4 | 5p | 11.602021 | .00620075 |
| 5 | 4p | 3.237697 | -.00044840 |
| 6 | 5p | 18.247620 | .00345118 |
| 7 | 5p | 3.588875 | .00610168 |
| 8 | 3p | 2.493455 | -.00567479 |
| ORB.ENERGY,a.u. | -14.344000 | ||
| NORM | 1.000000 | < R > | .430989 | < R2 > | .225059 | < 1/R > | 2.936029 | < 1/R**2 > | 11.681238 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.143231 | .36535339 |
| 2 | 2s | 5.199642 | -.80555395 |
| 3 | 3s | 7.612551 | -.28165114 |
| 4 | 4s | 26.030483 | .00150529 |
| 5 | 5s | 14.877522 | -.01114087 |
| 6 | 5s | 5.785032 | .01843245 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494242 | < R2 > | .285935 | < 1/R > | 2.961949 | < 1/R**2 > | 35.500283 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.162340 | .92549372 |
| 2 | 1s | 20.206427 | .07498181 |
| 3 | 2s | 11.654953 | .01893644 |
| 4 | 3s | 14.530188 | -.01694318 |
| 5 | 4s | 67.761467 | -.00007271 |
| 6 | 5s | 32.549360 | .00075068 |
| 7 | 4s | 4.801093 | .00002633 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110547 | < R2 > | .016376 | < 1/R > | 13.649342 | < 1/R**2 > | 375.271876 |
Total Energy= -240.21547255 a.u.
Kinetic Energy= 240.18827651 a.u.
Potential Energy= -480.40374907 a.u.
Virial Ratio = -2.00011323