(1s 2 2s 1 4s 1 ) 3 S O 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 6.643446 | .10564185 |
| 2 | 2s | 1.506528 | -1.52811122 |
| 3 | 3s | 1.413174 | 4.22477187 |
| 4 | 4s | 1.357545 | -3.51446189 |
| 5 | 5s | 2.734640 | .17112992 |
| 6 | 4s | 5.531263 | -.05404192 |
| 7 | 5s | 18.054978 | .00046587 |
| ORB.ENERGY,a.u. | -.892850 | ||
| NORM | 1.000000 | < R > | 4.222236 | < R2 > | 20.004033 | < 1/R > | .338239 | < 1/R**2 > | .885998 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.643250 | .37084075 |
| 2 | 2s | 3.128488 | -.86167206 |
| 3 | 3s | 3.829235 | -.24675687 |
| 4 | 4s | 8.710218 | .02752960 |
| 5 | 3s | 10.819926 | .01117656 |
| 6 | 5s | 7.184737 | -.00846380 |
| 7 | 4s | 3.204694 | -.00812731 |
| 8 | 5s | 15.981614 | .00147366 |
| 9 | 3s | 24.225344 | -.00015499 |
| ORB.ENERGY,a.u. | -4.773800 | ||
| NORM | 1.000000 | < R > | .894203 | < R2 > | .932953 | < 1/R > | 1.622472 | < 1/R**2 > | 10.635663 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.225792 | .87673839 |
| 2 | 1s | 11.062095 | .12593851 |
| 3 | 2s | 5.432687 | .02521834 |
| 4 | 3s | 6.947233 | -.02838916 |
| 5 | 4s | 14.842481 | .00333335 |
| 6 | 5s | 9.314886 | .00225741 |
| 7 | 3s | 23.171271 | -.00021888 |
| 8 | 5s | 1.111659 | .00023896 |
| ORB.ENERGY,a.u. | -24.429000 |
| NORM | 1.000000 | < R > | .197181 | < R2 > | .052223 | < 1/R > | 7.676520 | < 1/R**2 > | 119.205687 |
Total Energy= -65.06451068 a.u.
Kinetic Energy= 65.07048640 a.u.
Potential Energy= -130.13499708 a.u.
Virial Ratio = -1.99990817