(1s 2 2s 1 ) 2 S P 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2020.
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 | 2s- electron | |
| 1 | 1s | 12.844012 | .39787726 |
| 2 | 2s | 6.335865 | -.67668947 |
| 3 | 3s | 7.984037 | -.41274254 |
| 4 | 5s | 14.880081 | -.01795334 |
| 5 | 4s | 29.505078 | .00140159 |
| 6 | 5s | 46.959088 | -.00011047 |
| 7 | 5s | 4.514510 | .00023763 |
| ORB.ENERGY,a.u. | -22.478000 | ||
| NORM | 1.000000 | < R > | .436807 | < R2 > | .222497 | < 1/R > | 3.376830 | < 1/R**2 > | 45.947106 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.414759 | .93694013 |
| 2 | 1s | 22.351059 | .05190698 |
| 3 | 2s | 16.368723 | .01644317 |
| 4 | 3s | 8.936681 | .00102368 |
| 5 | 4s | 22.455194 | -.00095445 |
| 6 | 5s | 34.857833 | .00037545 |
| 7 | 3s | 40.389392 | -.00038835 |
| ORB.ENERGY,a.u. | -100.520000 |
| NORM | 1.000000 | < R > | .102698 | < R2 > | .014117 | < 1/R > | 14.675077 | < 1/R**2 > | 433.286258 |
Total Energy= -238.14042982 a.u.
Kinetic Energy= 238.14043884 a.u.
Potential Energy= -476.28086866 a.u.
Virial Ratio = -1.99999996