(1s 2 2s 2 2p 4 4p 1 ) 4 D Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4241.
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 | 4p- electron | |
| 1 | 2p | 6.537045 | .18234428 |
| 2 | 3p | 1.361506 | 1.68600253 |
| 3 | 4p | 2.583550 | -1.32635689 |
| 4 | 5p | 4.656905 | -.16058250 |
| 5 | 3p | 12.000230 | -.00477740 |
| 6 | 4p | 1.279826 | -.28297674 |
| 7 | 5p | 1.729242 | .38375772 |
| 8 | 3p | .798664 | .01385423 |
| 9 | 4p | 28.869363 | -.00009188 |
| ORB.ENERGY,a.u. | -1.356500 | ||
| NORM | 1.000000 | < R > | 3.177701 | < R2 > | 11.417583 | < 1/R > | .442136 | < 1/R**2 > | .576366 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.637748 | 1.20736431 |
| 2 | 3p | 5.414562 | -.27968791 |
| 3 | 2p | 10.756762 | .06821004 |
| 4 | 4p | 12.559410 | .01339487 |
| 5 | 5p | 32.456000 | -.00015194 |
| 6 | 5p | 1.508709 | -.00038019 |
| ORB.ENERGY,a.u. | -8.561100 | ||
| NORM | 1.000000 | < R > | .484633 | < R2 > | .288980 | < 1/R > | 2.658645 | < 1/R**2 > | 9.776338 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.325422 | .37417832 |
| 2 | 2s | 5.741395 | -.84112554 |
| 3 | 3s | 5.172581 | -.29610424 |
| 4 | 4s | 16.150583 | .00773179 |
| 5 | 3s | 17.773095 | .00695450 |
| 6 | 5s | 30.573345 | .00050523 |
| 7 | 5s | 4.493651 | -.00518535 |
| 8 | 4s | 3.093447 | .00170469 |
| 9 | 2s | 65.571365 | .00001118 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .533522 | < R2 > | .335935 | < 1/R > | 2.733236 | < 1/R**2 > | 30.587979 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.204094 | .91792644 |
| 2 | 1s | 19.479277 | .07911713 |
| 3 | 2s | 8.060139 | .01968257 |
| 4 | 3s | 9.904378 | -.01997193 |
| 5 | 4s | 12.236420 | .00947541 |
| 6 | 5s | 33.725796 | .00089230 |
| 7 | 4s | 78.314522 | -.00003634 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111174 | < R2 > | .016605 | < 1/R > | 13.600370 | < 1/R**2 > | 373.190971 |
Total Energy= -272.96464122 a.u.
Kinetic Energy= 272.97203714 a.u.
Potential Energy= -545.93667835 a.u.
Virial Ratio = -1.99997291