(1s 2 2s 2 2p 5 5d 1 ) 3 F Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3352.
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 | 1.356706 | 1.21760849 |
| 2 | 4d | 1.073008 | -4.18251700 |
| 3 | 5d | 1.014714 | 3.63423011 |
| 4 | 3d | 3.093853 | .09036661 |
| 5 | 5d | 4.688580 | -.02413418 |
| 6 | 4d | 9.411465 | .00421829 |
| 7 | 5d | 21.996997 | .00001783 |
| 8 | 3d | 13.358571 | .00062848 |
| ORB.ENERGY,a.u. | -.519340 | ||
| NORM | 1.000004 | < R > | 6.599587 | < R2 > | 49.585715 | < 1/R > | .215544 | < 1/R**2 > | .102850 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.354358 | 1.25230892 |
| 2 | 3p | 5.155589 | -.33723253 |
| 3 | 2p | 10.414861 | .08128925 |
| 4 | 5p | 77.562420 | .00001209 |
| 5 | 4p | 12.362963 | .01600324 |
| 6 | 5p | 3.312713 | .00045922 |
| ORB.ENERGY,a.u. | -7.251800 | ||
| NORM | 1.000000 | < R > | .506733 | < R2 > | .318277 | < 1/R > | 2.564150 | < 1/R**2 > | 9.176182 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.402910 | .36096884 |
| 2 | 2s | 5.637849 | -.82937767 |
| 3 | 3s | 4.919898 | -.30097479 |
| 4 | 4s | 18.124748 | .00438161 |
| 5 | 3s | 16.297570 | .00660569 |
| 6 | 5s | 36.131587 | .00030085 |
| 7 | 5s | 4.840995 | -.00421483 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547073 | < R2 > | .354439 | < 1/R > | 2.664177 | < 1/R**2 > | 29.166542 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199788 | .91833886 |
| 2 | 1s | 19.514880 | .07855180 |
| 3 | 2s | 7.792991 | .02028900 |
| 4 | 3s | 9.786208 | -.02091559 |
| 5 | 4s | 12.345352 | .01064186 |
| 6 | 5s | 33.417922 | .00088594 |
| 7 | 4s | 77.737857 | -.00003914 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111306 | < R2 > | .016654 | < 1/R > | 13.590532 | < 1/R**2 > | 372.778159 |
Total Energy= -279.61997173 a.u.
Kinetic Energy= 279.62136500 a.u.
Potential Energy= -559.24133673 a.u.
Virial Ratio = -1.99999502