(1s 2 2s 2 ) 3 S F 5+
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 | 7.394423 | .36845327 |
| 2 | 2s | 3.553349 | -.85963938 |
| 3 | 3s | 4.042078 | -.24517148 |
| 4 | 4s | 16.945244 | .00628210 |
| 5 | 4s | 10.828521 | .02104398 |
| 6 | 5s | 3.839450 | -.02827990 |
| 7 | 5s | 37.995806 | .00044028 |
| 8 | 4s | 3.541868 | .00689136 |
| 9 | 4s | 55.950239 | .00010303 |
| ORB.ENERGY,a.u. | -5.660300 | ||
| NORM | 1.000000 | < R > | .808463 | < R2 > | .764950 | < 1/R > | 1.789585 | < 1/R**2 > | 12.908738 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.171252 | .87150729 |
| 2 | 1s | 12.459488 | .12752748 |
| 3 | 2s | 7.631808 | .02682937 |
| 4 | 3s | 8.808033 | -.02802545 |
| 5 | 4s | 16.444430 | .00438824 |
| 6 | 5s | 11.121834 | .00235102 |
| 7 | 5s | 61.371932 | -.00002116 |
| ORB.ENERGY,a.u. | -31.913000 |
| NORM | 1.000000 | < R > | .174308 | < R2 > | .040765 | < 1/R > | 8.673760 | < 1/R**2 > | 151.989094 |
Total Energy= -87.93405202 a.u.
Kinetic Energy= 87.93405232 a.u.
Potential Energy= -175.86810434 a.u.
Virial Ratio = -2.00000000