(1s 2 2s 1 5s 1 ) 3 S P 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 8.460260 | .14869323 |
| 2 | 2s | 2.117530 | -5.77586823 |
| 3 | 3s | 2.956994 | 8.74892803 |
| 4 | 4s | 2.510563 | -8.78103284 |
| 5 | 5s | 2.453563 | 6.83447250 |
| 6 | 5s | 16.965213 | -.00054934 |
| 7 | 1s | 19.294614 | .00610813 |
| 8 | 4s | 48.651029 | -.00005493 |
| 9 | 5s | 2.083041 | .00873586 |
| ORB.ENERGY,a.u. | -3.028800 | ||
| NORM | 1.000000 | < R > | 2.979846 | < R2 > | 9.938363 | < 1/R > | .493908 | < 1/R**2 > | 2.417536 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.254983 | .42704158 |
| 2 | 2s | 6.497491 | -.80796977 |
| 3 | 3s | 7.711049 | -.30398992 |
| 4 | 5s | 13.252295 | -.02345293 |
| 5 | 4s | 26.386271 | .00618921 |
| 6 | 5s | 34.938482 | -.00156460 |
| 7 | 4s | 91.073729 | .00002050 |
| ORB.ENERGY,a.u. | -22.045000 | ||
| NORM | 1.000000 | < R > | .436843 | < R2 > | .222560 | < 1/R > | 3.377341 | < 1/R**2 > | 45.972731 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.421245 | .93891166 |
| 2 | 1s | 22.885788 | .04877125 |
| 3 | 2s | 17.444728 | .01654965 |
| 4 | 3s | 10.557850 | .00170644 |
| 5 | 4s | 60.219529 | -.00045394 |
| 6 | 5s | 80.297626 | .00016467 |
| 7 | 5s | 3.347943 | .00015981 |
| 8 | 4s | 1.605565 | -.00017137 |
| ORB.ENERGY,a.u. | -97.975000 |
| NORM | 1.000000 | < R > | .102707 | < R2 > | .014119 | < 1/R > | 14.674267 | < 1/R**2 > | 433.247766 |
Total Energy= -241.15762785 a.u.
Kinetic Energy= 241.16422321 a.u.
Potential Energy= -482.32185106 a.u.
Virial Ratio = -1.99997265