(1s 2 2s 1 5s 1 ) 1 S F 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 3.733719 | .08207769 |
| 2 | 2s | 1.028692 | -5.06603731 |
| 3 | 3s | 1.441584 | 8.71579261 |
| 4 | 4s | 1.232253 | -10.49378092 |
| 5 | 5s | 1.253392 | 8.54145053 |
| 6 | 5s | 1.915308 | -.60901775 |
| 7 | 1s | 9.225771 | .01800641 |
| 8 | 3s | 14.915270 | .00177221 |
| 9 | 4s | 23.611601 | -.00046101 |
| 10 | 2s | 47.247753 | .00001642 |
| ORB.ENERGY,a.u. | -.780470 | ||
| NORM | 1.000007 | < R > | 5.767042 | < R2 > | 37.209578 | < 1/R > | .233753 | < 1/R**2 > | .324130 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.670946 | .30872330 |
| 2 | 2s | 2.095260 | -.71152308 |
| 3 | 3s | 4.928895 | -.63989869 |
| 4 | 4s | 2.716171 | .41694961 |
| 5 | 5s | 1.049854 | .71300808 |
| 6 | 5s | 10.906036 | -.01009882 |
| 7 | 4s | .894394 | -.76700100 |
| 8 | 3s | 17.887581 | -.00039471 |
| 9 | 3s | .532058 | .09500815 |
| 10 | 4s | .510842 | -.02589425 |
| 11 | 5s | 58.452435 | -.00001171 |
| ORB.ENERGY,a.u. | -6.561900 | ||
| NORM | 1.000000 | < R > | .785068 | < R2 > | .805593 | < 1/R > | 1.890464 | < 1/R**2 > | 14.448268 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.184814 | .86208840 |
| 2 | 1s | 12.027831 | .13879718 |
| 3 | 2s | 5.166041 | .02953399 |
| 4 | 3s | 6.571990 | -.03720031 |
| 5 | 4s | 16.469134 | .00389292 |
| 6 | 5s | 8.811392 | .00769624 |
| 7 | 5s | 61.854991 | -.00002159 |
| 8 | 5s | .760749 | .00248213 |
| 9 | 4s | .621429 | -.00228203 |
| ORB.ENERGY,a.u. | -31.913000 |
| NORM | 1.000000 | < R > | .174260 | < R2 > | .040754 | < 1/R > | 8.676766 | < 1/R**2 > | 152.090468 |
Total Energy= -83.06494441 a.u.
Kinetic Energy= 83.05955940 a.u.
Potential Energy= -166.12450381 a.u.
Virial Ratio = -2.00006483