(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 3 D Si 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3251.
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 | 5p- electron | |
| 1 | 3p | 1.270681 | -.13527278 |
| 2 | 4p | .512791 | .67915843 |
| 3 | 5p | .306703 | -1.17909358 |
| 4 | 3p | 2.303408 | -.04364745 |
| 5 | 2p | 7.844760 | .01044801 |
| 6 | 2p | 3.213158 | .02935800 |
| 7 | 4p | 8.896112 | .00249020 |
| 8 | 2p | .468221 | .04402451 |
| ORB.ENERGY,a.u. | -.038883 | ||
| NORM | 1.000001 | < R > | 18.575407 | < R2 > | 387.404778 | < 1/R > | .069861 | < 1/R**2 > | .014944 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.471091 | .24862520 |
| 2 | 2p | 1.045553 | -.83077344 |
| 3 | 3p | 1.581682 | -.24794380 |
| 4 | 2p | 7.041814 | .10088943 |
| 5 | 3p | 9.768339 | -.00965667 |
| 6 | 4p | 1.014232 | .00697875 |
| 7 | 4p | 25.282477 | -.00032886 |
| 8 | 5p | 76.424841 | -.00000882 |
| 9 | 5p | 1.073371 | .00204801 |
| ORB.ENERGY,a.u. | -.280830 | ||
| NORM | 1.000000 | < R > | 2.468259 | < R2 > | 7.088962 | < 1/R > | .530157 | < 1/R**2 > | .618537 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.385739 | -.16452881 |
| 2 | 1s | 9.435675 | .18952471 |
| 3 | 1s | 21.418576 | .00232907 |
| 4 | 2s | 4.196146 | -.27348227 |
| 5 | 3s | 1.738110 | .87026613 |
| 6 | 4s | 3.114269 | .13830904 |
| 7 | 5s | 1.579511 | .08856955 |
| 8 | 4s | 45.716726 | -.00005742 |
| ORB.ENERGY,a.u. | -.557120 | ||
| NORM | 1.000000 | < R > | 2.093402 | < R2 > | 5.048272 | < 1/R > | .634175 | < 1/R**2 > | 2.225407 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.177105 | .48228185 |
| 2 | 3p | 5.436505 | .49333198 |
| 3 | 4p | 4.265394 | .12707726 |
| 4 | 5p | 2.744561 | .00338649 |
| 5 | 2p | 14.231313 | .00945176 |
| 6 | 5p | 31.545915 | -.00045789 |
| 7 | 4p | 45.427291 | -.00008184 |
| 8 | 3p | .886313 | .00009705 |
| ORB.ENERGY,a.u. | -4.129300 | ||
| NORM | 1.000000 | < R > | .535275 | < R2 > | .359477 | < 1/R > | 2.456874 | < 1/R**2 > | 8.523332 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398637 | .35142013 |
| 2 | 2s | 4.934844 | -.77287757 |
| 3 | 3s | 4.397858 | -.16879769 |
| 4 | 4s | 21.952305 | .00177688 |
| 5 | 2s | 6.454026 | -.18123621 |
| 6 | 3s | 14.463372 | .01041306 |
| 7 | 4s | 3.411900 | -.00407320 |
| 8 | 4s | 62.206585 | -.00002114 |
| 9 | 5s | 1.679891 | -.00007356 |
| ORB.ENERGY,a.u. | -5.975800 | ||
| NORM | 1.000000 | < R > | .562552 | < R2 > | .376664 | < 1/R > | 2.592084 | < 1/R**2 > | 27.724263 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.577889 | 1.01499713 |
| 2 | 2s | 18.820827 | -.02466606 |
| 3 | 3s | 9.622131 | .02347230 |
| 4 | 4s | 48.602695 | -.00008122 |
| 5 | 4s | 27.353758 | .00097347 |
| 6 | 2s | 69.801364 | .00001921 |
| 7 | 5s | 11.890198 | -.00876388 |
| 8 | 3s | 2.583625 | .00063301 |
| 9 | 4s | 2.957821 | -.00051825 |
| ORB.ENERGY,a.u. | -68.001000 |
| NORM | 1.000000 | < R > | .111427 | < R2 > | .016699 | < 1/R > | 13.581436 | < 1/R**2 > | 372.394024 |
Total Energy= -288.61120630 a.u.
Kinetic Energy= 288.61200261 a.u.
Potential Energy= -577.22320891 a.u.
Virial Ratio = -1.99999724