(1s 2 2s 2 2p 5 5p 1 ) 3 P Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 2p | 3.630783 | .13918933 |
| 2 | 3p | 1.643885 | -1.25086153 |
| 3 | 4p | 1.225158 | 3.43497651 |
| 4 | 5p | 1.094269 | -2.84352993 |
| 5 | 2p | 7.805861 | .04602345 |
| 6 | 5p | 11.184609 | .00320802 |
| 7 | 5p | 1.108650 | -.11636326 |
| 8 | 4p | 27.830661 | -.00020569 |
| ORB.ENERGY,a.u. | -.593770 | ||
| NORM | 1.000001 | < R > | 6.140359 | < R2 > | 42.395382 | < 1/R > | .232323 | < 1/R**2 > | .204272 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.368502 | 1.25216342 |
| 2 | 3p | 5.186292 | -.33483607 |
| 3 | 2p | 10.440314 | .07952389 |
| 4 | 3p | 41.221929 | .00003082 |
| 5 | 4p | 12.402245 | .01541409 |
| 6 | 5p | 3.070453 | .00066328 |
| ORB.ENERGY,a.u. | -7.242300 | ||
| NORM | 1.000000 | < R > | .506655 | < R2 > | .318149 | < 1/R > | 2.564314 | < 1/R**2 > | 9.176730 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.399991 | .36105632 |
| 2 | 2s | 5.638346 | -.83013591 |
| 3 | 3s | 4.908127 | -.30158671 |
| 4 | 4s | 17.746204 | .00463920 |
| 5 | 3s | 16.433681 | .00657101 |
| 6 | 5s | 35.278472 | .00034916 |
| 7 | 5s | 4.731563 | -.00300814 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547129 | < R2 > | .354505 | < 1/R > | 2.663823 | < 1/R**2 > | 29.159015 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199466 | .91834285 |
| 2 | 1s | 19.515982 | .07854962 |
| 3 | 2s | 7.789698 | .02030391 |
| 4 | 3s | 9.780328 | -.02092754 |
| 5 | 4s | 12.337606 | .01065418 |
| 6 | 5s | 33.329219 | .00087979 |
| 7 | 4s | 77.781829 | -.00004037 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111310 | < R2 > | .016655 | < 1/R > | 13.590229 | < 1/R**2 > | 372.765120 |
Total Energy= -279.69761243 a.u.
Kinetic Energy= 279.69561582 a.u.
Potential Energy= -559.39322825 a.u.
Virial Ratio = -2.00000714