(1s 2 2s 2 3s 1 ) 2 S F 4+
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 | 7.476418 | .15882908 |
| 2 | 2s | 2.444295 | -.91910542 |
| 3 | 3s | 1.920735 | 1.55619458 |
| 4 | 4s | 5.497082 | -.06178478 |
| 5 | 5s | 9.709013 | -.01263612 |
| 6 | 5s | 2.195167 | -.03314768 |
| 7 | 4s | 1.880456 | .01780137 |
| 8 | 4s | 18.714526 | .00028896 |
| ORB.ENERGY,a.u. | -1.786300 | ||
| NORM | 1.000000 | < R > | 2.131273 | < R2 > | 5.133227 | < 1/R > | .657886 | < 1/R**2 > | 2.545803 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.851456 | .33575149 |
| 2 | 2s | 3.232848 | -.78368091 |
| 3 | 3s | 4.719060 | -.28679002 |
| 4 | 4s | 14.144270 | .00401284 |
| 5 | 5s | 4.336814 | -.01669041 |
| 6 | 3s | 9.598059 | .01233780 |
| 7 | 5s | 2.319678 | -.00739863 |
| 8 | 3s | 1.860755 | .00883350 |
| ORB.ENERGY,a.u. | -5.096900 | ||
| NORM | 1.000000 | < R > | .811627 | < R2 > | .772080 | < 1/R > | 1.783764 | < 1/R**2 > | 12.836230 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.052130 | .84897042 |
| 2 | 1s | 12.487447 | .14872042 |
| 3 | 2s | 10.681877 | .02095777 |
| 4 | 3s | 10.021170 | -.01550887 |
| 5 | 4s | 16.983557 | .00425938 |
| 6 | 5s | 10.103207 | -.00236883 |
| 7 | 3s | 38.809131 | -.00002724 |
| ORB.ENERGY,a.u. | -31.263000 |
| NORM | 1.000000 | < R > | .174347 | < R2 > | .040786 | < 1/R > | 8.672380 | < 1/R**2 > | 151.948637 |
Total Energy= -89.71898201 a.u.
Kinetic Energy= 89.71898188 a.u.
Potential Energy= -179.43796389 a.u.
Virial Ratio = -2.00000000