(1s 2 2s 2 2p 1 3p 1 ) 3 D Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3231.
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 | 3p- electron | |
| 1 | 2p | 4.521592 | .64630066 |
| 2 | 3p | 3.174684 | -1.32559740 |
| 3 | 2p | 9.423975 | .06478145 |
| 4 | 4p | 11.573057 | .01477726 |
| 5 | 5p | 2.767365 | .01475300 |
| 6 | 4p | 2.244934 | -.00759884 |
| 7 | 5p | 36.589959 | -.00009502 |
| ORB.ENERGY,a.u. | -5.126600 | ||
| NORM | 1.000000 | < R > | 1.224530 | < R2 > | 1.715975 | < 1/R > | 1.111384 | < 1/R**2 > | 2.553101 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.692667 | 1.08320771 |
| 2 | 3p | 6.920121 | -.10057543 |
| 3 | 2p | 13.965096 | .01482362 |
| 4 | 5p | 16.519629 | .00240078 |
| 5 | 4p | 28.686214 | -.00032874 |
| 6 | 5p | 5.683014 | .01016578 |
| 7 | 5p | 92.100356 | -.00000358 |
| 8 | 4p | 4.863279 | -.00305835 |
| ORB.ENERGY,a.u. | -13.850000 | ||
| NORM | 1.000000 | < R > | .430271 | < R2 > | .224384 | < 1/R > | 2.941372 | < 1/R**2 > | 11.723068 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.162444 | .36293477 |
| 2 | 2s | 5.172662 | -.80452121 |
| 3 | 3s | 7.610410 | -.28059729 |
| 4 | 4s | 26.253139 | .00139938 |
| 5 | 5s | 14.814103 | -.01117246 |
| 6 | 5s | 6.018096 | .01635469 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .496416 | < R2 > | .288704 | < 1/R > | 2.949113 | < 1/R**2 > | 35.221323 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.159418 | .92628452 |
| 2 | 1s | 20.324135 | .07392254 |
| 3 | 2s | 12.056800 | .01892634 |
| 4 | 3s | 15.026581 | -.01667455 |
| 5 | 4s | 73.137227 | -.00005540 |
| 6 | 5s | 32.236651 | .00095502 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110596 | < R2 > | .016393 | < 1/R > | 13.645142 | < 1/R**2 > | 375.088954 |
Total Energy= -243.61769679 a.u.
Kinetic Energy= 243.68022130 a.u.
Potential Energy= -487.29791809 a.u.
Virial Ratio = -1.99974342