(1s 2 2s 2 2p 1 5s 1 ) 3 P Si 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 5s- electron | |
| 1 | 1s | 10.937945 | .08714939 |
| 2 | 2s | 3.364241 | -.80785037 |
| 3 | 3s | 2.538865 | 3.03670474 |
| 4 | 4s | 1.980866 | -6.70686759 |
| 5 | 5s | 1.905319 | 5.09263954 |
| 6 | 5s | 16.100678 | -.00369495 |
| 7 | 4s | 8.833755 | -.02184826 |
| 8 | 5s | 1.346177 | -.00462699 |
| ORB.ENERGY,a.u. | -1.810300 | ||
| NORM | .999996 | < R > | 3.740844 | < R2 > | 15.659570 | < 1/R > | .388900 | < 1/R**2 > | 1.508627 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.662134 | 1.10034101 |
| 2 | 3p | 7.162419 | -.12699919 |
| 3 | 2p | 13.372972 | .01553141 |
| 4 | 5p | 11.338071 | .01038195 |
| 5 | 4p | 37.859741 | -.00007165 |
| 6 | 5p | 17.350641 | .00508584 |
| 7 | 5p | 5.844426 | .00322766 |
| 8 | 4p | 5.687356 | -.00250034 |
| ORB.ENERGY,a.u. | -14.388000 | ||
| NORM | 1.000000 | < R > | .431294 | < R2 > | .225324 | < 1/R > | 2.933660 | < 1/R**2 > | 11.662503 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.992509 | .37238308 |
| 2 | 2s | 5.395510 | -.79487078 |
| 3 | 3s | 7.283075 | -.28348409 |
| 4 | 4s | 26.928283 | .00134007 |
| 5 | 5s | 14.660827 | -.01423571 |
| 6 | 5s | 2.868403 | .00258321 |
| 7 | 3s | 1.218366 | -.00210561 |
| 8 | 5s | 97.125859 | .00000429 |
| ORB.ENERGY,a.u. | -14.065000 | ||
| NORM | 1.000000 | < R > | .494126 | < R2 > | .285801 | < 1/R > | 2.962788 | < 1/R**2 > | 35.520869 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.166484 | .92706224 |
| 2 | 1s | 20.365397 | .07305376 |
| 3 | 2s | 12.296069 | .01854842 |
| 4 | 3s | 15.128557 | -.01638055 |
| 5 | 4s | 74.938553 | -.00004915 |
| 6 | 5s | 32.551898 | .00100819 |
| 7 | 5s | 7.377805 | .00016124 |
| 8 | 3s | 2.791465 | -.00005883 |
| ORB.ENERGY,a.u. | -79.321000 |
| NORM | 1.000000 | < R > | .110548 | < R2 > | .016376 | < 1/R > | 13.649175 | < 1/R**2 > | 375.263350 |
Total Energy= -240.36319610 a.u.
Kinetic Energy= 240.36555473 a.u.
Potential Energy= -480.72875083 a.u.
Virial Ratio = -1.99999019