(1s 2 2s 2 2p 4 5d 1 ) 4 P Si 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4152.
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 | 5d- electron | |
| 1 | 3d | 1.681206 | 1.14265482 |
| 2 | 4d | 1.229167 | -4.73167687 |
| 3 | 5d | 1.211242 | 4.35788039 |
| 4 | 3d | 4.208834 | .06364516 |
| 5 | 5d | 6.279196 | -.01581781 |
| 6 | 4d | 13.236018 | .00069548 |
| 7 | 5d | .993428 | -.03725674 |
| 8 | 3d | 19.024590 | .00011564 |
| ORB.ENERGY,a.u. | -.743330 | ||
| NORM | .999998 | < R > | 5.536998 | < R2 > | 34.885264 | < 1/R > | .255771 | < 1/R**2 > | .142594 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.663490 | 1.20111398 |
| 2 | 3p | 5.474336 | -.27103041 |
| 3 | 2p | 10.796802 | .06646065 |
| 4 | 4p | 12.575196 | .01323982 |
| 5 | 5p | .715283 | .00002822 |
| 6 | 5p | 32.509036 | -.00015324 |
| ORB.ENERGY,a.u. | -8.713700 | ||
| NORM | 1.000000 | < R > | .484339 | < R2 > | .288585 | < 1/R > | 2.659925 | < 1/R**2 > | 9.784739 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.185739 | .38149654 |
| 2 | 2s | 5.810196 | -.85462118 |
| 3 | 3s | 5.118034 | -.30276006 |
| 4 | 4s | 18.939202 | .01562820 |
| 5 | 3s | 21.667712 | .00294834 |
| 6 | 5s | 24.517150 | -.00204822 |
| 7 | 5s | 13.882202 | .00948498 |
| ORB.ENERGY,a.u. | -9.180700 | ||
| NORM | 1.000000 | < R > | .533120 | < R2 > | .335389 | < 1/R > | 2.735305 | < 1/R**2 > | 30.630621 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.204832 | .91772265 |
| 2 | 1s | 19.462886 | .07931864 |
| 3 | 2s | 8.041491 | .01968036 |
| 4 | 3s | 9.929103 | -.01992594 |
| 5 | 4s | 12.307837 | .00936970 |
| 6 | 5s | 33.691639 | .00093653 |
| 7 | 4s | 80.896732 | -.00003401 |
| ORB.ENERGY,a.u. | -72.079000 |
| NORM | 1.000000 | < R > | .111165 | < R2 > | .016601 | < 1/R > | 13.601166 | < 1/R**2 > | 373.225283 |
Total Energy= -272.36227019 a.u.
Kinetic Energy= 272.35952367 a.u.
Potential Energy= -544.72179387 a.u.
Virial Ratio = -2.00001008