(1s 2 2s 2 2p 6 4s 1 ) 2 S Si 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 11.452980 | .06183695 |
| 2 | 2s | 4.623700 | -.22744130 |
| 3 | 3s | 1.704236 | .96735399 |
| 4 | 4s | 1.299195 | -1.51394019 |
| 5 | 5s | 3.160245 | .11212029 |
| 6 | 5s | 14.749925 | -.00349932 |
| 7 | 2s | 29.223516 | -.00003528 |
| 8 | 2s | .658856 | -.01068744 |
| ORB.ENERGY,a.u. | -.770370 | ||
| NORM | 1.000001 | < R > | 3.928562 | < R2 > | 17.359369 | < 1/R > | .350064 | < 1/R**2 > | .938544 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.354449 | .46531031 |
| 2 | 3p | 5.593824 | .50423617 |
| 3 | 4p | 4.340728 | .18803222 |
| 4 | 5p | 3.210503 | .03606216 |
| 5 | 2p | 15.330625 | .00651469 |
| 6 | 5p | 31.220643 | -.00031809 |
| 7 | 3p | 2.672938 | -.07943903 |
| 8 | 4p | 42.268094 | -.00006160 |
| 9 | 5p | 1.200916 | -.00003045 |
| ORB.ENERGY,a.u. | -5.466800 | ||
| NORM | 1.000000 | < R > | .531236 | < R2 > | .352860 | < 1/R > | 2.469454 | < 1/R**2 > | 8.595798 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.464658 | .34878597 |
| 2 | 2s | 5.543355 | -.82250954 |
| 3 | 3s | 4.630776 | -.30863652 |
| 4 | 4s | 18.503480 | .00650899 |
| 5 | 3s | 19.391466 | .00319712 |
| 6 | 4s | 1.887596 | -.00262835 |
| 7 | 5s | 37.794474 | .00020735 |
| 8 | 5s | 2.024202 | .00220891 |
| 9 | 2s | 154.236127 | .00000031 |
| ORB.ENERGY,a.u. | -7.379900 | ||
| NORM | 1.000000 | < R > | .561610 | < R2 > | .375088 | < 1/R > | 2.595364 | < 1/R**2 > | 27.783815 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.587625 | 1.01394905 |
| 2 | 2s | 19.346165 | -.02228491 |
| 3 | 3s | 9.845862 | .02001565 |
| 4 | 4s | 54.188604 | -.00039343 |
| 5 | 4s | 10.865499 | .00268271 |
| 6 | 5s | 70.759585 | .00012135 |
| 7 | 5s | 11.917543 | -.00860658 |
| 8 | 2s | 176.552163 | .00000105 |
| 9 | 2s | 4.812822 | .00070876 |
| ORB.ENERGY,a.u. | -69.510000 |
| NORM | 1.000000 | < R > | .111421 | < R2 > | .016697 | < 1/R > | 13.581983 | < 1/R**2 > | 372.419775 |
Total Energy= -285.95024682 a.u.
Kinetic Energy= 285.95025573 a.u.
Potential Energy= -571.90050255 a.u.
Virial Ratio = -1.99999997