(1s 2 2s 2 3p 1 ) 2 P Si 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 2p | 4.405185 | .82097150 |
| 2 | 3p | 3.441828 | -1.47186869 |
| 3 | 2p | 9.644910 | .06154725 |
| 4 | 4p | 10.569979 | .01718639 |
| 5 | 5p | 18.085849 | .00207925 |
| 6 | 5p | 3.277543 | .00503572 |
| ORB.ENERGY,a.u. | -6.023400 | ||
| NORM | 1.000000 | < R > | 1.152207 | < R2 > | 1.528281 | < 1/R > | 1.207048 | < 1/R**2 > | 3.029617 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.056759 | .37734424 |
| 2 | 2s | 5.327675 | -.81047830 |
| 3 | 3s | 7.687684 | -.28554359 |
| 4 | 5s | 13.897659 | -.01443909 |
| 5 | 4s | 27.487487 | .00229450 |
| 6 | 5s | 6.282128 | .02472627 |
| 7 | 5s | 41.078225 | -.00030400 |
| ORB.ENERGY,a.u. | -16.307000 | ||
| NORM | 1.000000 | < R > | .484572 | < R2 > | .274523 | < 1/R > | 3.026321 | < 1/R**2 > | 36.937743 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.203669 | .93355710 |
| 2 | 1s | 21.320118 | .06370158 |
| 3 | 2s | 15.041867 | .01985867 |
| 4 | 3s | 16.332055 | -.01494261 |
| 5 | 5s | 31.215409 | .00105389 |
| 6 | 4s | 70.249431 | -.00007082 |
| 7 | 5s | 6.507285 | -.00007467 |
| ORB.ENERGY,a.u. | -83.309000 |
| NORM | 1.000000 | < R > | .110333 | < R2 > | .016299 | < 1/R > | 13.666156 | < 1/R**2 > | 375.988480 |
Total Energy= -229.84050156 a.u.
Kinetic Energy= 229.84049928 a.u.
Potential Energy= -459.68100084 a.u.
Virial Ratio = -2.00000001