(1s 2 2s 2 2p 4 4p 1 ) 4 P Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4141.
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 | 4p- electron | |
| 1 | 2p | 6.518592 | .18791231 |
| 2 | 3p | 1.364029 | 1.58455504 |
| 3 | 4p | 2.624537 | -1.25793509 |
| 4 | 5p | 4.712927 | -.15568670 |
| 5 | 3p | 12.227299 | -.00487160 |
| 6 | 4p | 1.307728 | -.30262684 |
| 7 | 5p | 1.750224 | .44681344 |
| 8 | 3p | .785682 | .00994349 |
| 9 | 4p | 28.523542 | -.00007380 |
| ORB.ENERGY,a.u. | -1.369300 | ||
| NORM | .999999 | < R > | 3.149856 | < R2 > | 11.219707 | < 1/R > | .447681 | < 1/R**2 > | .596137 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.655395 | 1.20328149 |
| 2 | 3p | 5.461631 | -.27382113 |
| 3 | 2p | 10.863285 | .06560605 |
| 4 | 4p | 12.619436 | .01441698 |
| 5 | 5p | 1.971134 | -.00238276 |
| 6 | 4p | 2.303103 | .00179395 |
| 7 | 4p | 58.873441 | .00001828 |
| ORB.ENERGY,a.u. | -8.573900 | ||
| NORM | 1.000000 | < R > | .484831 | < R2 > | .289252 | < 1/R > | 2.657878 | < 1/R**2 > | 9.771691 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.328292 | .37403160 |
| 2 | 2s | 5.741057 | -.84133407 |
| 3 | 3s | 5.170760 | -.29604866 |
| 4 | 4s | 16.168406 | .00807235 |
| 5 | 3s | 18.039271 | .00684366 |
| 6 | 5s | 30.250075 | .00049064 |
| 7 | 5s | 4.452392 | -.00557724 |
| 8 | 4s | 3.195004 | .00223953 |
| 9 | 2s | 60.135215 | .00001645 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .533529 | < R2 > | .335945 | < 1/R > | 2.733201 | < 1/R**2 > | 30.587252 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 19.479138 | .07911800 |
| 2 | 2s | 8.059905 | .01968209 |
| 3 | 3s | 9.904292 | -.01997233 |
| 4 | 4s | 12.237090 | .00947561 |
| 5 | 5s | 33.724002 | .00089257 |
| 6 | 4s | 78.331892 | -.00003637 |
| 7 | 1s | 13.204103 | .91792559 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111174 | < R2 > | .016605 | < 1/R > | 13.600373 | < 1/R**2 > | 373.191083 |
Total Energy= -272.96420854 a.u.
Kinetic Energy= 272.98486223 a.u.
Potential Energy= -545.94907077 a.u.
Virial Ratio = -1.99992434