(1s 2 2s 2 2p 1 3d 1 ) 1 F O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1332.
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 | 3d- electron | |
| 1 | 3d | .995345 | .98606223 |
| 2 | 4d | 1.180303 | .01194872 |
| 3 | 3d | 3.778172 | .00770863 |
| 4 | 5d | 5.146441 | .00108599 |
| 5 | 4d | 20.113034 | .00001118 |
| ORB.ENERGY,a.u. | -.497140 | ||
| NORM | 1.000000 | < R > | 3.511467 | < R2 > | 14.107298 | < 1/R > | .333260 | < 1/R**2 > | .134314 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.631786 | .87206171 |
| 2 | 2p | 4.439522 | .13035303 |
| 3 | 2p | 9.437906 | .00751251 |
| 4 | 3p | 1.341980 | -.00787328 |
| 5 | 4p | 2.541933 | .02376213 |
| 6 | 4p | 13.264131 | -.00072692 |
| ORB.ENERGY,a.u. | -2.413000 | ||
| NORM | 1.000000 | < R > | .902047 | < R2 > | .993150 | < 1/R > | 1.418343 | < 1/R**2 > | 2.769664 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.277407 | .28820604 |
| 2 | 2s | 2.436212 | -.76203710 |
| 3 | 3s | 4.074721 | -.28644914 |
| 4 | 4s | 14.188410 | .00248061 |
| 5 | 5s | 8.269293 | -.01813591 |
| 6 | 5s | 2.731097 | .02556436 |
| 7 | 4s | 24.888726 | .00009470 |
| 8 | 4s | 1.959373 | -.00441861 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .985303 | < R2 > | 1.144672 | < 1/R > | 1.458466 | < 1/R**2 > | 8.615621 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.354900 | .73311900 |
| 2 | 1s | 10.724002 | .19847514 |
| 3 | 1s | 3.600989 | .00397722 |
| 4 | 2s | 7.718018 | .09864676 |
| 5 | 3s | 8.684933 | -.02316302 |
| 6 | 4s | 14.551994 | .00528422 |
| 7 | 5s | 28.294857 | .00014937 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197797 | < R2 > | .052608 | < 1/R > | 7.660287 | < 1/R**2 > | 118.804027 |
Total Energy= -71.61165783 a.u.
Kinetic Energy= 71.59184897 a.u.
Potential Energy= -143.20350680 a.u.
Virial Ratio = -2.00027669