(1s 2 2s 2 2p 5 5d 1 ) 1 F Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1352.
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 | 1.323172 | 1.33221398 |
| 2 | 4d | 1.068454 | -4.36858547 |
| 3 | 5d | 1.010327 | 3.71346022 |
| 4 | 3d | 3.097297 | .07577463 |
| 5 | 5d | 4.721400 | -.02045472 |
| 6 | 4d | 9.523509 | .00401924 |
| 7 | 5d | 21.527796 | .00002536 |
| 8 | 3d | 13.617671 | .00056788 |
| ORB.ENERGY,a.u. | -.515850 | ||
| NORM | 1.000004 | < R > | 6.650226 | < R2 > | 50.329260 | < 1/R > | .213108 | < 1/R**2 > | .099284 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.355222 | 1.25180369 |
| 2 | 3p | 5.155917 | -.33671781 |
| 3 | 2p | 10.415443 | .08128667 |
| 4 | 5p | 77.452281 | .00001214 |
| 5 | 4p | 12.365489 | .01599467 |
| 6 | 5p | 3.302425 | .00049145 |
| ORB.ENERGY,a.u. | -7.248300 | ||
| NORM | 1.000000 | < R > | .506676 | < R2 > | .318198 | < 1/R > | 2.564365 | < 1/R**2 > | 9.177466 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.397750 | .36121770 |
| 2 | 2s | 5.639556 | -.83049704 |
| 3 | 3s | 4.903003 | -.30185021 |
| 4 | 4s | 17.819946 | .00463310 |
| 5 | 3s | 16.416739 | .00657553 |
| 6 | 5s | 35.532574 | .00033547 |
| 7 | 5s | 4.619783 | -.00246301 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547067 | < R2 > | .354429 | < 1/R > | 2.664202 | < 1/R**2 > | 29.167054 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199788 | .91833795 |
| 2 | 1s | 19.514880 | .07855173 |
| 3 | 2s | 7.792706 | .02029130 |
| 4 | 3s | 9.785834 | -.02091634 |
| 5 | 4s | 12.345318 | .01064202 |
| 6 | 5s | 33.416547 | .00088585 |
| 7 | 4s | 77.740869 | -.00003916 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111306 | < R2 > | .016654 | < 1/R > | 13.590517 | < 1/R**2 > | 372.777524 |
Total Energy= -279.61999060 a.u.
Kinetic Energy= 279.61786113 a.u.
Potential Energy= -559.23785173 a.u.
Virial Ratio = -2.00000762