(1s 2 5s 1 ) 2 S F 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 3.795029 | .18703211 |
| 2 | 2s | 1.623265 | -3.23888314 |
| 3 | 3s | 1.537900 | 11.39390518 |
| 4 | 4s | 1.564628 | -12.65039077 |
| 5 | 5s | 1.402285 | 4.80175208 |
| 6 | 5s | 3.104489 | -.06173129 |
| 7 | 1s | 10.884309 | .01375810 |
| 8 | 4s | .767082 | -.00328993 |
| 9 | 4s | 32.748819 | -.00006513 |
| ORB.ENERGY,a.u. | -1.019200 | ||
| NORM | 1.000000 | < R > | 5.155637 | < R2 > | 29.769773 | < 1/R > | .287042 | < 1/R**2 > | .824742 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.074509 | .84724741 |
| 2 | 1s | 12.436274 | .14973645 |
| 3 | 2s | 10.744055 | .02073536 |
| 4 | 3s | 9.175696 | -.01618098 |
| 5 | 4s | 15.890219 | .00402499 |
| 6 | 5s | 62.141415 | -.00002778 |
| 7 | 5s | 8.815140 | -.00088442 |
| ORB.ENERGY,a.u. | -34.723000 |
| NORM | 1.000000 | < R > | .173951 | < R2 > | .040571 | < 1/R > | 8.687005 | < 1/R**2 > | 152.383863 |
Total Energy= -76.50477066 a.u.
Kinetic Energy= 76.50477228 a.u.
Potential Energy= -153.00954295 a.u.
Virial Ratio = -1.99999998