(1s 2 2s 2 2p 5 3d 1 ) 1 F Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1332.
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 | 3d- electron | |
| 1 | 3d | 1.791582 | 1.12012110 |
| 2 | 3d | 5.352960 | .03483558 |
| 3 | 4d | 2.343906 | -.14869121 |
| 4 | 5d | 8.157099 | -.00273657 |
| 5 | 4d | 32.077647 | .00002450 |
| 6 | 5d | 1.683093 | .02059081 |
| ORB.ENERGY,a.u. | -1.448000 | ||
| NORM | 1.000000 | < R > | 1.954705 | < R2 > | 4.422838 | < 1/R > | .609516 | < 1/R**2 > | .462064 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.279547 | 1.27727229 |
| 2 | 3p | 5.031277 | -.36817741 |
| 3 | 2p | 10.297023 | .08680467 |
| 4 | 4p | 12.235368 | .01686015 |
| 5 | 5p | 81.721831 | .00001054 |
| 6 | 5p | 3.056623 | .01129483 |
| 7 | 4p | 2.731118 | -.01244153 |
| ORB.ENERGY,a.u. | -6.786000 | ||
| NORM | 1.000000 | < R > | .507596 | < R2 > | .319673 | < 1/R > | 2.561603 | < 1/R**2 > | 9.162334 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.387992 | .36137907 |
| 2 | 2s | 5.645378 | -.83106610 |
| 3 | 3s | 4.884301 | -.30269177 |
| 4 | 4s | 17.191702 | .00519470 |
| 5 | 3s | 16.688345 | .00652927 |
| 6 | 5s | 34.030612 | .00042356 |
| 7 | 5s | 4.167450 | -.00291103 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547714 | < R2 > | .355457 | < 1/R > | 2.661746 | < 1/R**2 > | 29.120729 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199949 | .91833714 |
| 2 | 1s | 19.514641 | .07855165 |
| 3 | 2s | 7.794270 | .02028328 |
| 4 | 3s | 9.787998 | -.02091216 |
| 5 | 4s | 12.348703 | .01063615 |
| 6 | 5s | 33.483555 | .00088899 |
| 7 | 4s | 77.622152 | -.00003807 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111304 | < R2 > | .016653 | < 1/R > | 13.590697 | < 1/R**2 > | 372.785328 |
Total Energy= -280.55631682 a.u.
Kinetic Energy= 280.55012791 a.u.
Potential Energy= -561.10644473 a.u.
Virial Ratio = -2.00002206