(1s 2 2s 2 2p 6 3s 1 5d 1 ) 1 D Si 2+
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 | 2.437999 | .13437149 |
| 2 | 4d | 2.996495 | -.06828808 |
| 3 | 5d | 5.970213 | -.00599168 |
| 4 | 3d | .843615 | 1.14774285 |
| 5 | 4d | .629893 | -4.31458163 |
| 6 | 5d | .607450 | 3.87768858 |
| 7 | 3d | 9.599507 | .00039164 |
| ORB.ENERGY,a.u. | -.186200 | ||
| NORM | 1.000007 | < R > | 10.984595 | < R2 > | 138.011938 | < 1/R > | .132873 | < 1/R**2 > | .041271 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | .869522 | -.06015547 |
| 2 | 1s | 8.164576 | .14202341 |
| 3 | 1s | 16.227950 | .01478084 |
| 4 | 2s | 5.766872 | -.35811494 |
| 5 | 3s | 1.817590 | .75376228 |
| 6 | 4s | 2.706587 | .34953406 |
| 7 | 5s | 6.647727 | -.06465024 |
| 8 | 4s | 53.061882 | -.00004025 |
| 9 | 3s | .881137 | .00517568 |
| 10 | 2s | 36.663179 | -.00001462 |
| ORB.ENERGY,a.u. | -1.176700 | ||
| NORM | 1.000000 | < R > | 1.878694 | < R2 > | 4.009735 | < 1/R > | .712371 | < 1/R**2 > | 2.902921 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.579292 | .43730775 |
| 2 | 3p | 5.859172 | .48535004 |
| 3 | 4p | 4.702893 | .18428674 |
| 4 | 5p | 3.703957 | .01097749 |
| 5 | 2p | 16.830919 | .00422675 |
| 6 | 5p | 32.984911 | -.00014311 |
| 7 | 4p | 96.942404 | .00000153 |
| ORB.ENERGY,a.u. | -4.857200 | ||
| NORM | 1.000000 | < R > | .532956 | < R2 > | .355678 | < 1/R > | 2.464155 | < 1/R**2 > | 8.565447 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.457188 | .34896849 |
| 2 | 2s | 5.549987 | -.82133946 |
| 3 | 3s | 4.640027 | -.30674760 |
| 4 | 4s | 20.111215 | .00297596 |
| 5 | 3s | 15.339737 | .00699944 |
| 6 | 2s | 2.017028 | -.00556754 |
| 7 | 5s | 38.093287 | .00017163 |
| 8 | 5s | 59.555849 | .00000879 |
| 9 | 5s | 1.386495 | -.00041244 |
| 10 | 3s | 1.062067 | .00053272 |
| ORB.ENERGY,a.u. | -6.820300 | ||
| NORM | 1.000000 | < R > | .562146 | < R2 > | .376068 | < 1/R > | 2.593878 | < 1/R**2 > | 27.759363 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.587163 | 1.01399680 |
| 2 | 2s | 19.340664 | -.02232045 |
| 3 | 3s | 9.855967 | .01994662 |
| 4 | 4s | 54.402331 | -.00040361 |
| 5 | 4s | 10.378262 | .00285578 |
| 6 | 5s | 71.174878 | .00012814 |
| 7 | 5s | 11.812871 | -.00880842 |
| 8 | 2s | 184.469002 | .00000092 |
| 9 | 2s | 4.991160 | .00076622 |
| 10 | 5s | 1.796156 | -.00000577 |
| ORB.ENERGY,a.u. | -68.889000 |
| NORM | 1.000000 | < R > | .111420 | < R2 > | .016697 | < 1/R > | 13.581983 | < 1/R**2 > | 372.418420 |
Total Energy= -287.02881249 a.u.
Kinetic Energy= 287.00770896 a.u.
Potential Energy= -574.03652144 a.u.
Virial Ratio = -2.00007353