(1s 2 2s 2 2p 1 4d 1 ) 1 F O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1342.
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 | 4d- electron | |
| 1 | 3d | .709609 | 2.55062659 |
| 2 | 4d | .745125 | -3.10305734 |
| 3 | 3d | 3.486858 | .00794347 |
| 4 | 5d | 3.394033 | -.00104220 |
| 5 | 4d | 20.636988 | .00001120 |
| ORB.ENERGY,a.u. | -.280590 | ||
| NORM | .999997 | < R > | 7.000221 | < R2 > | 56.099134 | < 1/R > | .188742 | < 1/R**2 > | .057909 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.523930 | .79725338 |
| 2 | 2p | 4.113922 | .19658361 |
| 3 | 2p | 8.834258 | .01025483 |
| 4 | 3p | 3.379584 | .02410441 |
| 5 | 4p | .789148 | .00116138 |
| 6 | 4p | 14.428626 | -.00073188 |
| ORB.ENERGY,a.u. | -2.602600 | ||
| NORM | 1.000000 | < R > | .906271 | < R2 > | 1.004625 | < 1/R > | 1.413899 | < 1/R**2 > | 2.755382 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.283594 | .28818385 |
| 2 | 2s | 2.434809 | -.75853539 |
| 3 | 3s | 4.084829 | -.28457697 |
| 4 | 4s | 14.963962 | .00210137 |
| 5 | 5s | 8.204180 | -.01994215 |
| 6 | 5s | 2.853147 | .02932103 |
| 7 | 4s | 32.843529 | .00002609 |
| 8 | 4s | 3.142062 | -.01044243 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .983828 | < R2 > | 1.140580 | < 1/R > | 1.460287 | < 1/R**2 > | 8.634812 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.355117 | .73316960 |
| 2 | 1s | 10.723857 | .19844571 |
| 3 | 1s | 3.595634 | .00394253 |
| 4 | 2s | 7.716993 | .09866705 |
| 5 | 3s | 8.681868 | -.02316648 |
| 6 | 4s | 14.554824 | .00527519 |
| 7 | 5s | 28.259036 | .00014905 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197793 | < R2 > | .052605 | < 1/R > | 7.660365 | < 1/R**2 > | 118.805845 |
Total Energy= -71.38492283 a.u.
Kinetic Energy= 71.37529260 a.u.
Potential Energy= -142.76021542 a.u.
Virial Ratio = -2.00013492