(1s 1 3s 1 ) 1 S O 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
| 1 | 1s | 3.630130 | .27539314 |
| 2 | 2s | 2.909953 | -1.00133465 |
| 3 | 3s | 2.314081 | 1.87613761 |
| 4 | 4s | 5.203993 | -.31867528 |
| 5 | 5s | 4.132663 | -.24899421 |
| 6 | 3s | 6.399321 | -.07469126 |
| 7 | 5s | 10.210617 | -.00929588 |
| 8 | 4s | 1.789078 | -.00537842 |
| 9 | 3s | 84.110336 | .00000227 |
| ORB.ENERGY,a.u. | -2.843300 | ||
| NORM | .999999 | < R > | 1.861260 | < R2 > | 3.933266 | < 1/R > | .708240 | < 1/R**2 > | 1.419881 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | .962839 | .23660564 |
| 2 | 1s | 8.017474 | .99744410 |
| 3 | 2s | 2.635679 | -.18049195 |
| 4 | 3s | 1.510172 | -.09373516 |
| 5 | 3s | 5.762912 | -.01697599 |
| 6 | 4s | 2.791096 | .07207480 |
| 7 | 5s | 1.362146 | -.01392267 |
| 8 | 5s | 24.602347 | .00005936 |
| ORB.ENERGY,a.u. | -31.288000 |
| NORM | 1.000000 | < R > | .192462 | < R2 > | .066469 | < 1/R > | 8.082977 | < 1/R**2 > | 130.326538 |
Total Energy= -34.83132546 a.u.
Kinetic Energy= 34.81393767 a.u.
Potential Energy= -69.64526313 a.u.
Virial Ratio = -2.00049945