(1s 2 2s 2 2p 5 4d 1 ) 3 F Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3342.
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 | 1.533999 | 1.11885044 |
| 2 | 4d | 1.262035 | -1.65738220 |
| 3 | 3d | 5.179794 | .03885340 |
| 4 | 4d | 3.573614 | .04224583 |
| 5 | 5d | 8.449993 | -.00139734 |
| 6 | 4d | .946748 | .00846785 |
| 7 | 4d | 32.998086 | .00001786 |
| ORB.ENERGY,a.u. | -.817340 | ||
| NORM | 1.000001 | < R > | 3.959649 | < R2 > | 18.052617 | < 1/R > | .342613 | < 1/R**2 > | .203317 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.339678 | 1.25583997 |
| 2 | 3p | 5.129034 | -.34237876 |
| 3 | 2p | 10.373754 | .08267540 |
| 4 | 3p | 40.546705 | .00003145 |
| 5 | 4p | 12.346288 | .01600819 |
| 6 | 5p | 3.083491 | .00065679 |
| 7 | 4p | 1.467706 | -.00025230 |
| ORB.ENERGY,a.u. | -7.112600 | ||
| NORM | 1.000000 | < R > | .507050 | < R2 > | .318762 | < 1/R > | 2.563123 | < 1/R**2 > | 9.170409 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.400049 | .36100881 |
| 2 | 2s | 5.639171 | -.82965037 |
| 3 | 3s | 4.914005 | -.30104005 |
| 4 | 4s | 17.923415 | .00452608 |
| 5 | 3s | 16.371483 | .00659133 |
| 6 | 5s | 35.686297 | .00032480 |
| 7 | 5s | 4.797462 | -.00433836 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547264 | < R2 > | .354734 | < 1/R > | 2.663415 | < 1/R**2 > | 29.151914 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199788 | .91834131 |
| 2 | 1s | 19.515594 | .07854913 |
| 3 | 2s | 7.794428 | .02028367 |
| 4 | 3s | 9.787893 | -.02091205 |
| 5 | 4s | 12.346969 | .01063911 |
| 6 | 5s | 33.473756 | .00088721 |
| 7 | 4s | 77.625884 | -.00003797 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111305 | < R2 > | .016654 | < 1/R > | 13.590599 | < 1/R**2 > | 372.781102 |
Total Energy= -279.91612415 a.u.
Kinetic Energy= 279.91940878 a.u.
Potential Energy= -559.83553294 a.u.
Virial Ratio = -1.99998827