(1s 2 2s 2 2p 2 ) 1 D Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1221.
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 | 2p- electron | |
| 1 | 2p | 5.487398 | 1.11067930 |
| 2 | 3p | 7.209274 | -.13693470 |
| 3 | 2p | 12.075054 | .02241091 |
| 4 | 5p | 14.151941 | .00423069 |
| 5 | 4p | 27.750873 | -.00090144 |
| 6 | 5p | 5.425019 | .01553054 |
| 7 | 5p | 84.401120 | -.00002223 |
| 8 | 4p | 4.530987 | -.00487942 |
| ORB.ENERGY,a.u. | -12.680000 | ||
| NORM | 1.000000 | < R > | .448612 | < R2 > | .245025 | < 1/R > | 2.837541 | < 1/R**2 > | 10.986945 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.031931 | .36107931 |
| 2 | 2s | 5.239810 | -.81724514 |
| 3 | 3s | 6.973208 | -.28476736 |
| 4 | 4s | 25.959642 | .00129404 |
| 5 | 5s | 15.167624 | -.00905084 |
| 6 | 5s | 8.849201 | .02711040 |
| 7 | 4s | 3.032191 | .00014729 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .506229 | < R2 > | .300632 | < 1/R > | 2.887316 | < 1/R**2 > | 33.865330 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.179238 | .93379228 |
| 2 | 1s | 20.634455 | .06685756 |
| 3 | 2s | 11.760869 | .01738216 |
| 4 | 3s | 15.572637 | -.01505805 |
| 5 | 4s | 73.786566 | -.00005297 |
| 6 | 5s | 32.248875 | .00098542 |
| 7 | 5s | 9.466232 | .00030964 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110782 | < R2 > | .016461 | < 1/R > | 13.630709 | < 1/R**2 > | 374.476851 |
Total Energy= -251.46160966 a.u.
Kinetic Energy= 251.23027545 a.u.
Potential Energy= -502.69188511 a.u.
Virial Ratio = -2.00092081