(1s 2 2s 2 2p 4 5s 1 ) 4 P Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4150.
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 | 5s- electron | |
| 1 | 1s | 11.818377 | .05625957 |
| 2 | 2s | 3.848351 | -.30017223 |
| 3 | 3s | 2.063464 | 1.44726604 |
| 4 | 4s | 1.488965 | -3.94898451 |
| 5 | 5s | 1.371056 | 3.36092854 |
| 6 | 5s | 11.809464 | -.01387531 |
| 7 | 4s | 15.178571 | -.00791667 |
| 8 | 5s | 42.245031 | -.00020087 |
| 9 | 3s | .865112 | .03415958 |
| 10 | 4s | 63.298012 | -.00004578 |
| ORB.ENERGY,a.u. | -.902620 | ||
| NORM | .999997 | < R > | 5.006219 | < R2 > | 28.047952 | < 1/R > | .285420 | < 1/R**2 > | .820949 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.678415 | 1.19654915 |
| 2 | 3p | 5.510183 | -.26533641 |
| 3 | 2p | 10.812227 | .06555719 |
| 4 | 4p | 12.514368 | .01320381 |
| 5 | 5p | 3.848399 | .00030326 |
| 6 | 5p | 33.413287 | -.00014637 |
| ORB.ENERGY,a.u. | -8.714700 | ||
| NORM | 1.000000 | < R > | .484315 | < R2 > | .288538 | < 1/R > | 2.659878 | < 1/R**2 > | 9.783798 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.318913 | .33006902 |
| 2 | 2s | 4.806864 | -.81538786 |
| 3 | 3s | 7.765686 | -.21108915 |
| 4 | 4s | 6.209043 | -.03813661 |
| 5 | 5s | 16.029935 | -.01033095 |
| 6 | 5s | 1.263638 | -.04695008 |
| 7 | 4s | 1.096919 | .07799961 |
| 8 | 3s | 53.514470 | -.00012113 |
| 9 | 3s | .914670 | -.03271375 |
| 10 | 4s | 88.742874 | .00003104 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .533173 | < R2 > | .335547 | < 1/R > | 2.735148 | < 1/R**2 > | 30.628167 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.205005 | .91768401 |
| 2 | 1s | 19.413150 | .07962912 |
| 3 | 2s | 7.624458 | .02042748 |
| 4 | 3s | 9.440213 | -.02124843 |
| 5 | 4s | 11.937642 | .00968705 |
| 6 | 5s | 33.398084 | .00086848 |
| 7 | 3s | 52.798421 | -.00008989 |
| 8 | 5s | .862415 | .00133367 |
| 9 | 4s | .700175 | -.00121780 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111165 | < R2 > | .016602 | < 1/R > | 13.601119 | < 1/R**2 > | 373.222429 |
Total Energy= -272.51461558 a.u.
Kinetic Energy= 272.51773978 a.u.
Potential Energy= -545.03235536 a.u.
Virial Ratio = -1.99998854