(1s 2 2s 2 2p 3 5s 1 ) 5 S Si 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5050.
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 | 5s- electron | |
| 1 | 1s | 11.313349 | .06865744 |
| 2 | 2s | 3.999025 | -.38190322 |
| 3 | 3s | 2.010592 | 2.41860400 |
| 4 | 4s | 1.780282 | -4.59728629 |
| 5 | 5s | 1.531928 | 3.05257040 |
| 6 | 4s | 11.161533 | -.01099569 |
| 7 | 5s | 29.300656 | .00013907 |
| ORB.ENERGY,a.u. | -1.178100 | ||
| NORM | .999998 | < R > | 4.474183 | < R2 > | 22.400500 | < 1/R > | .322240 | < 1/R**2 > | 1.056539 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.250597 | 1.36155100 |
| 2 | 3p | 6.699989 | -.45606871 |
| 3 | 4p | 8.190219 | .09017576 |
| 4 | 5p | 23.417939 | -.00263546 |
| 5 | 4p | 3.411658 | .01023746 |
| 6 | 4p | 30.580172 | -.00137046 |
| 7 | 5p | 3.480457 | -.00590012 |
| 8 | 3p | 1.595418 | .00031117 |
| 9 | 3p | 43.618295 | -.00011226 |
| ORB.ENERGY,a.u. | -10.870000 | ||
| NORM | 1.000000 | < R > | .462714 | < R2 > | .261510 | < 1/R > | 2.761263 | < 1/R**2 > | 10.449030 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.227309 | .34269711 |
| 2 | 2s | 4.952755 | -.79303624 |
| 3 | 3s | 8.073894 | -.24722663 |
| 4 | 4s | 22.034201 | .00326816 |
| 5 | 5s | 7.733009 | -.04456939 |
| 6 | 4s | 1.134210 | .08929478 |
| 7 | 5s | 1.328409 | -.06002597 |
| 8 | 2s | 25.280541 | -.00054658 |
| 9 | 3s | .919295 | -.03131705 |
| ORB.ENERGY,a.u. | -10.422000 | ||
| NORM | 1.000000 | < R > | .519897 | < R2 > | .318137 | < 1/R > | 2.807686 | < 1/R**2 > | 32.154360 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.171983 | .92542308 |
| 2 | 1s | 20.180395 | .07334173 |
| 3 | 2s | 11.185621 | .01829403 |
| 4 | 3s | 16.028300 | -.01521429 |
| 5 | 4s | 24.343036 | .00316496 |
| 6 | 5s | 44.673145 | .00023151 |
| 7 | 5s | 8.646355 | .00028154 |
| 8 | 4s | 1.765717 | -.00250044 |
| 9 | 3s | 1.312447 | .00253669 |
| ORB.ENERGY,a.u. | -74.117000 |
| NORM | 1.000000 | < R > | .110995 | < R2 > | .016540 | < 1/R > | 13.614135 | < 1/R**2 > | 373.772140 |
Total Energy= -263.79989434 a.u.
Kinetic Energy= 263.80553443 a.u.
Potential Energy= -527.60542877 a.u.
Virial Ratio = -1.99997862