(1s 1 2s 1 ) 3 S F 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3020.
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 | 7.181366 | .44496314 |
| 2 | 2s | 3.949628 | -.87045643 |
| 3 | 3s | 4.968423 | -.28504453 |
| 4 | 4s | 11.370434 | .00441414 |
| 5 | 5s | 31.141490 | -.00003754 |
| 6 | 5s | 3.410181 | .00087875 |
| ORB.ENERGY,a.u. | -8.534300 | ||
| NORM | 1.000000 | < R > | .711107 | < R2 > | .588952 | < 1/R > | 2.055302 | < 1/R**2 > | 16.687547 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.864630 | .75759021 |
| 2 | 1s | 9.074960 | .25709703 |
| 3 | 2s | 9.378381 | -.01397488 |
| 4 | 3s | 9.365455 | -.00391632 |
| 5 | 4s | 9.187883 | .00149781 |
| 6 | 5s | 17.104183 | -.00049641 |
| 7 | 5s | 7.536576 | -.00007320 |
| ORB.ENERGY,a.u. | -38.909000 |
| NORM | 1.000000 | < R > | .166560 | < R2 > | .037001 | < 1/R > | 9.006670 | < 1/R**2 > | 162.224459 |
Total Energy= -48.89756862 a.u.
Kinetic Energy= 48.97975785 a.u.
Potential Energy= -97.87732647 a.u.
Virial Ratio = -1.99832198