(1s 2 2s 1 4s 1 ) 1 S F 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 4s- electron | |
| 1 | 1s | 6.774650 | .07782150 |
| 2 | 2s | 1.704395 | -1.38927417 |
| 3 | 3s | 1.684147 | 3.96736024 |
| 4 | 4s | 1.588903 | -3.28680910 |
| 5 | 5s | 2.729731 | .19384600 |
| 6 | 4s | 4.733451 | -.06969750 |
| 7 | 5s | 18.356276 | .00140565 |
| 8 | 4s | 27.245908 | .00022492 |
| ORB.ENERGY,a.u. | -1.248900 | ||
| NORM | 1.000002 | < R > | 3.607895 | < R2 > | 14.558789 | < 1/R > | .354672 | < 1/R**2 > | .535315 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.656338 | .31438956 |
| 2 | 2s | 2.126533 | -.72853554 |
| 3 | 3s | 4.909948 | -.64643470 |
| 4 | 4s | 2.746900 | .45670707 |
| 5 | 5s | 1.579902 | -.14554211 |
| 6 | 5s | 10.805942 | -.01147818 |
| 7 | 3s | 14.622010 | -.00060020 |
| 8 | 3s | .908032 | .03063293 |
| 9 | 4s | .802352 | -.00588987 |
| 10 | 4s | 40.207373 | -.00004031 |
| ORB.ENERGY,a.u. | -6.440800 | ||
| NORM | 1.000000 | < R > | .783467 | < R2 > | .804149 | < 1/R > | 1.916783 | < 1/R**2 > | 14.869736 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.193274 | .85273514 |
| 2 | 1s | 11.868651 | .14616614 |
| 3 | 2s | 5.074601 | .03031046 |
| 4 | 3s | 6.125739 | -.03578664 |
| 5 | 4s | 16.961535 | .00363964 |
| 6 | 5s | 7.881335 | .00809416 |
| 7 | 4s | 1.535959 | -.00112685 |
| 8 | 3s | 1.541785 | .00106259 |
| 9 | 3s | 31.998262 | -.00005792 |
| ORB.ENERGY,a.u. | -31.913000 |
| NORM | 1.000000 | < R > | .174271 | < R2 > | .040758 | < 1/R > | 8.676385 | < 1/R**2 > | 152.079411 |
Total Energy= -83.53706252 a.u.
Kinetic Energy= 83.52765792 a.u.
Potential Energy= -167.06472044 a.u.
Virial Ratio = -2.00011259