(1s 2 2s 2 2p 5 5d 1 ) 1 D Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 1.302813 | 1.39757769 |
| 2 | 4d | 1.068346 | -4.43764043 |
| 3 | 5d | 1.007761 | 3.71606137 |
| 4 | 3d | 3.171298 | .07516967 |
| 5 | 5d | 4.768220 | -.02189542 |
| 6 | 4d | 9.530244 | .00381851 |
| 7 | 5d | 23.012887 | .00001197 |
| 8 | 3d | 13.438211 | .00057669 |
| ORB.ENERGY,a.u. | -.514070 | ||
| NORM | 1.000003 | < R > | 6.669859 | < R2 > | 50.648214 | < 1/R > | .212951 | < 1/R**2 > | .099558 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.352606 | 1.25170543 |
| 2 | 3p | 5.150366 | -.33706788 |
| 3 | 2p | 10.406286 | .08168792 |
| 4 | 5p | 77.773460 | .00001198 |
| 5 | 4p | 12.354018 | .01606864 |
| 6 | 5p | 3.297127 | .00044350 |
| ORB.ENERGY,a.u. | -7.246500 | ||
| NORM | 1.000000 | < R > | .506688 | < R2 > | .318216 | < 1/R > | 2.564338 | < 1/R**2 > | 9.177349 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.397662 | .36122195 |
| 2 | 2s | 5.639693 | -.83048175 |
| 3 | 3s | 4.902954 | -.30188582 |
| 4 | 4s | 17.808383 | .00464091 |
| 5 | 3s | 16.422464 | .00657369 |
| 6 | 5s | 35.496271 | .00033706 |
| 7 | 5s | 4.617659 | -.00245689 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547067 | < R2 > | .354430 | < 1/R > | 2.664202 | < 1/R**2 > | 29.167057 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199788 | .91833801 |
| 2 | 1s | 19.514880 | .07855173 |
| 3 | 2s | 7.792784 | .02029110 |
| 4 | 3s | 9.785926 | -.02091618 |
| 5 | 4s | 12.345362 | .01064194 |
| 6 | 5s | 33.416244 | .00088585 |
| 7 | 4s | 77.741272 | -.00003916 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111306 | < R2 > | .016654 | < 1/R > | 13.590518 | < 1/R**2 > | 372.777569 |
Total Energy= -279.61999249 a.u.
Kinetic Energy= 279.61608127 a.u.
Potential Energy= -559.23607376 a.u.
Virial Ratio = -2.00001399