(1s 2 2s 2 2p 6 3s 1 ) 2 S Si 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 3s- electron | |
| 1 | 1s | 13.006980 | .09063036 |
| 2 | 2s | 4.045027 | -.39139861 |
| 3 | 3s | 2.015407 | 1.07808443 |
| 4 | 4s | 1.677551 | .03660786 |
| 5 | 4s | 10.263217 | -.04320642 |
| 6 | 5s | 18.452289 | -.00403905 |
| 7 | 2s | 18.384327 | .00386981 |
| 8 | 1s | .579086 | -.00189886 |
| ORB.ENERGY,a.u. | -1.643700 | ||
| NORM | 1.000000 | < R > | 1.870164 | < R2 > | 3.970709 | < 1/R > | .715574 | < 1/R**2 > | 2.929038 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.364514 | .46291213 |
| 2 | 3p | 5.591892 | .50714031 |
| 3 | 4p | 4.319361 | .18976816 |
| 4 | 5p | 3.227617 | .03551376 |
| 5 | 2p | 15.320900 | .00644963 |
| 6 | 5p | 30.811015 | -.00034131 |
| 7 | 3p | 2.722973 | -.07907116 |
| 8 | 4p | 41.660796 | -.00007089 |
| 9 | 5p | 1.273797 | .00003638 |
| ORB.ENERGY,a.u. | -5.466800 | ||
| NORM | 1.000000 | < R > | .532871 | < R2 > | .355528 | < 1/R > | 2.464359 | < 1/R**2 > | 8.566448 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.463101 | .34874297 |
| 2 | 2s | 5.546216 | -.82188236 |
| 3 | 3s | 4.637048 | -.30819110 |
| 4 | 4s | 18.337960 | .00666913 |
| 5 | 3s | 19.557101 | .00318067 |
| 6 | 4s | 3.506992 | -.00162131 |
| 7 | 5s | 36.598506 | .00025624 |
| 8 | 5s | 3.144286 | -.00157161 |
| 9 | 3s | 1.315120 | -.00016662 |
| ORB.ENERGY,a.u. | -7.379900 | ||
| NORM | 1.000000 | < R > | .562039 | < R2 > | .375884 | < 1/R > | 2.594235 | < 1/R**2 > | 27.765792 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.587513 | 1.01395614 |
| 2 | 2s | 19.344889 | -.02228473 |
| 3 | 3s | 9.846550 | .02000288 |
| 4 | 4s | 54.632703 | -.00039751 |
| 5 | 4s | 10.771800 | .00270899 |
| 6 | 5s | 71.645736 | .00012487 |
| 7 | 5s | 11.898640 | -.00863631 |
| 8 | 2s | 184.165193 | .00000091 |
| 9 | 2s | 4.826259 | .00071321 |
| 10 | 3s | 1.547576 | -.00000838 |
| ORB.ENERGY,a.u. | -69.510000 |
| NORM | 1.000000 | < R > | .111421 | < R2 > | .016697 | < 1/R > | 13.581962 | < 1/R**2 > | 372.417475 |
Total Energy= -286.82145784 a.u.
Kinetic Energy= 286.82145124 a.u.
Potential Energy= -573.64290908 a.u.
Virial Ratio = -2.00000002