(1s 2 2s 2 2p 5 5d 1 ) 1 P Si 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1152.
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 | 1.061232 | 2.80539320 |
| 2 | 4d | 1.028927 | -7.11203015 |
| 3 | 5d | 1.002685 | 4.97415014 |
| 4 | 3d | 2.201880 | .03089502 |
| 5 | 5d | 3.741733 | -.00576802 |
| 6 | 4d | 8.310908 | .00389509 |
| 7 | 5d | 16.139955 | .00007797 |
| 8 | 3d | 11.697952 | .00073376 |
| ORB.ENERGY,a.u. | -.503220 | ||
| NORM | .999999 | < R > | 6.845566 | < R2 > | 53.211141 | < 1/R > | .203260 | < 1/R**2 > | .084936 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.353463 | 1.26070712 |
| 2 | 3p | 5.166856 | -.34308879 |
| 3 | 2p | 10.441917 | .07998684 |
| 4 | 4p | 12.374842 | .01576795 |
| 5 | 5p | 78.909437 | .00001173 |
| 6 | 5p | 3.114038 | .00749502 |
| 7 | 4p | 2.818641 | -.00863169 |
| ORB.ENERGY,a.u. | -7.235700 | ||
| NORM | 1.000000 | < R > | .506428 | < R2 > | .317834 | < 1/R > | 2.565217 | < 1/R**2 > | 9.182358 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.398646 | .36118820 |
| 2 | 2s | 5.638854 | -.83045878 |
| 3 | 3s | 4.903870 | -.30182434 |
| 4 | 4s | 17.893370 | .00458295 |
| 5 | 3s | 16.383610 | .00658198 |
| 6 | 5s | 35.744675 | .00032587 |
| 7 | 5s | 4.580682 | -.00240293 |
| ORB.ENERGY,a.u. | -8.011000 | ||
| NORM | 1.000000 | < R > | .547041 | < R2 > | .354389 | < 1/R > | 2.664306 | < 1/R**2 > | 29.169090 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.199627 | .91834376 |
| 2 | 1s | 19.516283 | .07854753 |
| 3 | 2s | 7.793462 | .02028878 |
| 4 | 3s | 9.786640 | -.02091466 |
| 5 | 4s | 12.344811 | .01064312 |
| 6 | 5s | 33.439241 | .00088505 |
| 7 | 4s | 77.686778 | -.00003828 |
| ORB.ENERGY,a.u. | -70.186000 |
| NORM | 1.000000 | < R > | .111307 | < R2 > | .016654 | < 1/R > | 13.590463 | < 1/R**2 > | 372.775180 |
Total Energy= -279.61751371 a.u.
Kinetic Energy= 279.60521645 a.u.
Potential Energy= -559.22273015 a.u.
Virial Ratio = -2.00004398