(1s 2 2s 2 2p 4 5p 1 ) 2 S Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2051.
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 | 3.641106 | .18812143 |
| 2 | 3p | 1.643859 | -2.05896360 |
| 3 | 4p | 1.473976 | 4.37034527 |
| 4 | 5p | 1.276039 | -2.97836518 |
| 5 | 2p | 7.735018 | .05270229 |
| 6 | 5p | 22.293662 | -.00071861 |
| 7 | 4p | 32.501724 | -.00023747 |
| 8 | 2p | 1.017392 | -.08769991 |
| ORB.ENERGY,a.u. | -.824220 | ||
| NORM | .999998 | < R > | 5.310936 | < R2 > | 31.713626 | < 1/R > | .269150 | < 1/R**2 > | .266154 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.646773 | 1.20338191 |
| 2 | 3p | 5.419034 | -.27459566 |
| 3 | 2p | 10.885190 | .06619830 |
| 4 | 4p | 12.917011 | .01514548 |
| 5 | 5p | 1.813660 | .00693227 |
| 6 | 5p | 18.802396 | -.00056076 |
| 7 | 4p | 56.122998 | .00002736 |
| 8 | 4p | 1.440215 | -.00695661 |
| ORB.ENERGY,a.u. | -8.710000 | ||
| NORM | 1.000000 | < R > | .484177 | < R2 > | .288371 | < 1/R > | 2.660497 | < 1/R**2 > | 9.787849 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.310890 | .37514405 |
| 2 | 2s | 5.729522 | -.84739631 |
| 3 | 3s | 5.080836 | -.30051430 |
| 4 | 4s | 16.652199 | .00778562 |
| 5 | 3s | 17.760221 | .00588551 |
| 6 | 5s | 33.173580 | .00053807 |
| 7 | 5s | 6.107355 | .00939519 |
| 8 | 4s | 2.216239 | .00007028 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .533166 | < R2 > | .335440 | < 1/R > | 2.734993 | < 1/R**2 > | 30.623980 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.204509 | .91772305 |
| 2 | 1s | 19.462681 | .07932105 |
| 3 | 2s | 8.033059 | .01970779 |
| 4 | 3s | 9.919065 | -.01994557 |
| 5 | 4s | 12.301668 | .00938379 |
| 6 | 5s | 33.551197 | .00092617 |
| 7 | 4s | 80.713296 | -.00003729 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111170 | < R2 > | .016603 | < 1/R > | 13.600744 | < 1/R**2 > | 373.206950 |
Total Energy= -272.44530409 a.u.
Kinetic Energy= 272.44013287 a.u.
Potential Energy= -544.88543695 a.u.
Virial Ratio = -2.00001898