(1s 2 2s 2 2p 1 4d 1 ) 3 P Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3142.
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 | 4d- electron | |
| 1 | 3d | 2.685286 | 1.20917927 |
| 2 | 4d | 2.227687 | -1.72087824 |
| 3 | 3d | 6.012475 | .03277404 |
| 4 | 4d | 20.328655 | .00035211 |
| 5 | 5d | 1.816828 | .02614244 |
| 6 | 3d | 1.295712 | -.01385571 |
| 7 | 5d | 13.071643 | .00202364 |
| 8 | 3d | 27.564420 | .00004688 |
| ORB.ENERGY,a.u. | -2.592600 | ||
| NORM | 1.000001 | < R > | 2.264074 | < R2 > | 5.873940 | < 1/R > | .587097 | < 1/R**2 > | .569148 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.634220 | 1.10881181 |
| 2 | 3p | 7.122800 | -.13622912 |
| 3 | 2p | 13.126642 | .01685193 |
| 4 | 4p | 10.149308 | .00876757 |
| 5 | 5p | 18.162443 | .00322686 |
| 6 | 3p | 7.324014 | -.00895413 |
| 7 | 4p | 9.895161 | .01161647 |
| 8 | 5p | 1.949128 | -.00010940 |
| ORB.ENERGY,a.u. | -14.150000 | ||
| NORM | 1.000000 | < R > | .431779 | < R2 > | .225884 | < 1/R > | 2.931262 | < 1/R**2 > | 11.647282 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.159254 | .36430887 |
| 2 | 2s | 5.180811 | -.80552740 |
| 3 | 3s | 7.631140 | -.28092380 |
| 4 | 4s | 26.292751 | .00136585 |
| 5 | 5s | 14.900709 | -.01168164 |
| 6 | 5s | 5.762192 | .01915086 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494667 | < R2 > | .286469 | < 1/R > | 2.959337 | < 1/R**2 > | 35.441745 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.164982 | .92610771 |
| 2 | 1s | 20.277805 | .07412129 |
| 3 | 2s | 11.985204 | .01877914 |
| 4 | 3s | 14.841930 | -.01665168 |
| 5 | 4s | 71.727090 | -.00005792 |
| 6 | 5s | 32.448690 | .00090819 |
| 7 | 5s | 8.203385 | .00007309 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110546 | < R2 > | .016376 | < 1/R > | 13.649402 | < 1/R**2 > | 375.274752 |
Total Energy= -241.16259041 a.u.
Kinetic Energy= 241.14992351 a.u.
Potential Energy= -482.31251393 a.u.
Virial Ratio = -2.00005253