(1s 2 2s 2 2p 6 3s 2 3p 1 5d 1 ) 3 F Si 0
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 | .407942 | .43944007 |
| 2 | 4d | .199237 | -4.75948348 |
| 3 | 5d | .213247 | 5.07367994 |
| 4 | 3d | 1.030470 | .28629039 |
| 5 | 4d | 1.331106 | -.22792613 |
| 6 | 5d | 1.665074 | .06222056 |
| 7 | 3d | 5.329308 | .00173689 |
| ORB.ENERGY,a.u. | -.022688 | ||
| NORM | 1.000009 | < R > | 29.751261 | < R2 > | 1014.383830 | < 1/R > | .051520 | < 1/R**2 > | .007711 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.471950 | .24291399 |
| 2 | 2p | 1.021055 | -.83967000 |
| 3 | 3p | 1.624014 | -.24261806 |
| 4 | 2p | 6.983348 | .10274035 |
| 5 | 3p | 9.487842 | -.01084805 |
| 6 | 4p | .477178 | .00194627 |
| 7 | 4p | 24.509334 | -.00039182 |
| 8 | 5p | 72.087279 | -.00001213 |
| 9 | 5p | 1.161531 | .01649006 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.480562 | < R2 > | 7.164456 | < 1/R > | .527568 | < 1/R**2 > | .612359 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.839863 | -.14196276 |
| 2 | 1s | 9.522461 | .18622325 |
| 3 | 1s | 22.412045 | .00186729 |
| 4 | 2s | 4.351443 | -.28697239 |
| 5 | 3s | 1.702091 | .84924598 |
| 6 | 4s | 3.023148 | .16714449 |
| 7 | 5s | 1.546454 | .07219537 |
| 8 | 4s | 43.910896 | -.00007116 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.094309 | < R2 > | 5.053755 | < 1/R > | .633995 | < 1/R**2 > | 2.224375 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 3p | .863559 | .00011740 |
| 2 | 2p | 7.176886 | .48234010 |
| 3 | 3p | 5.436502 | .49327499 |
| 4 | 4p | 4.266083 | .12704952 |
| 5 | 5p | 2.751532 | .00336697 |
| 6 | 2p | 14.232097 | .00945137 |
| 7 | 5p | 31.547556 | -.00045738 |
| 8 | 4p | 45.416780 | -.00008183 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535245 | < R2 > | .359429 | < 1/R > | 2.456972 | < 1/R**2 > | 8.523905 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398950 | .35141681 |
| 2 | 2s | 4.934889 | -.77286998 |
| 3 | 3s | 4.398365 | -.16878746 |
| 4 | 4s | 21.979512 | .00177951 |
| 5 | 2s | 6.453924 | -.18123654 |
| 6 | 3s | 14.464403 | .01041240 |
| 7 | 4s | 3.415811 | -.00406390 |
| 8 | 4s | 61.564319 | -.00002044 |
| 9 | 5s | 1.708394 | -.00007953 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562533 | < R2 > | .376635 | < 1/R > | 2.592164 | < 1/R**2 > | 27.725822 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577902 | 1.01499682 |
| 2 | 2s | 18.820576 | -.02466569 |
| 3 | 3s | 9.622493 | .02347108 |
| 4 | 4s | 48.629486 | -.00008126 |
| 5 | 4s | 27.355031 | .00097347 |
| 6 | 2s | 69.807191 | .00001918 |
| 7 | 5s | 11.890815 | -.00876327 |
| 8 | 3s | 2.583772 | .00063332 |
| 9 | 4s | 2.957853 | -.00051824 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016699 | < 1/R > | 13.581452 | < 1/R**2 > | 372.394749 |
Total Energy= -288.59413667 a.u.
Kinetic Energy= 288.59583409 a.u.
Potential Energy= -577.18997076 a.u.
Virial Ratio = -1.99999412