(1s 2 2s 2 2p 5 4d 1 ) 1 F Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | 1.480797 | 1.23096730 |
| 2 | 4d | 1.263872 | -1.75910780 |
| 3 | 3d | 5.257984 | .03361233 |
| 4 | 4d | 3.505729 | .03934344 |
| 5 | 5d | 8.457537 | -.00165063 |
| 6 | 4d | 34.067768 | .00001420 |
| ORB.ENERGY,a.u. | -.810620 | ||
| NORM | 1.000001 | < R > | 4.000855 | < R2 > | 18.412500 | < 1/R > | .337558 | < 1/R**2 > | .195358 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.341015 | 1.25347826 |
| 2 | 3p | 5.128311 | -.34033068 |
| 3 | 2p | 10.365758 | .08303680 |
| 4 | 3p | 40.775740 | .00003095 |
| 5 | 4p | 12.335497 | .01606583 |
| 6 | 5p | 3.045332 | .00069168 |
| 7 | 4p | 1.482304 | -.00025289 |
| ORB.ENERGY,a.u. | -7.105800 | ||
| NORM | 1.000000 | < R > | .506924 | < R2 > | .318582 | < 1/R > | 2.563581 | < 1/R**2 > | 9.173104 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.394797 | .36126635 |
| 2 | 2s | 5.641508 | -.83059221 |
| 3 | 3s | 4.898715 | -.30203272 |
| 4 | 4s | 17.596268 | .00480384 |
| 5 | 3s | 16.500694 | .00656261 |
| 6 | 5s | 35.002860 | .00036637 |
| 7 | 5s | 4.595915 | -.00270702 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547249 | < R2 > | .354711 | < 1/R > | 2.663474 | < 1/R**2 > | 29.153063 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199788 | .91834001 |
| 2 | 1s | 19.515356 | .07854998 |
| 3 | 2s | 7.793845 | .02028661 |
| 4 | 3s | 9.787264 | -.02091335 |
| 5 | 4s | 12.346512 | .01063994 |
| 6 | 5s | 33.453025 | .00088679 |
| 7 | 4s | 77.671759 | -.00003837 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111305 | < R2 > | .016654 | < 1/R > | 13.590569 | < 1/R**2 > | 372.779778 |
Total Energy= -279.91618529 a.u.
Kinetic Energy= 279.91267037 a.u.
Potential Energy= -559.82885566 a.u.
Virial Ratio = -2.00001256