(1s 2 3s 1 ) 2 S Cl 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 3s- electron | |
| 1 | 1s | 11.723370 | .29949240 |
| 2 | 2s | 5.432098 | -1.60612450 |
| 3 | 3s | 5.008026 | 2.19969697 |
| 4 | 4s | 8.874800 | -.18142342 |
| 5 | 5s | 15.516780 | -.02243001 |
| 6 | 5s | 3.670672 | -.00760250 |
| 7 | 4s | 34.618240 | .00156259 |
| 8 | 5s | 49.875832 | -.00032735 |
| 9 | 4s | 2.639183 | .00582215 |
| 10 | 3s | 1.864388 | -.00188693 |
| 11 | 2s | 22.386978 | .00030982 |
| ORB.ENERGY,a.u. | -12.960000 | ||
| NORM | 1.000000 | < R > | .871766 | < R2 > | .863047 | < 1/R > | 1.701582 | < 1/R**2 > | 17.443738 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.394093 | .93847553 |
| 2 | 1s | 25.635270 | .04942863 |
| 3 | 2s | 20.047712 | .01697664 |
| 4 | 3s | 17.324227 | .00084170 |
| 5 | 4s | 25.648958 | -.00098814 |
| 6 | 5s | 35.873909 | .00028684 |
| 7 | 3s | 43.676503 | -.00047345 |
| 8 | 5s | 5.512365 | -.00006022 |
| ORB.ENERGY,a.u. | -132.830000 |
| NORM | 1.000000 | < R > | .090251 | < R2 > | .010892 | < 1/R > | 16.684513 | < 1/R**2 > | 559.548687 |
Total Energy= -291.40274404 a.u.
Kinetic Energy= 291.40274790 a.u.
Potential Energy= -582.80549194 a.u.
Virial Ratio = -1.99999999