(1s 1 4s 1 ) 3 S O 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 5.035128 | .21676889 |
| 2 | 2s | 2.891103 | -.88715152 |
| 3 | 3s | 1.596157 | 4.58925260 |
| 4 | 4s | 1.721732 | -5.10941343 |
| 5 | 5s | 2.644878 | .55410371 |
| 6 | 4s | 4.676596 | -.09796974 |
| 7 | 5s | 30.373881 | -.00007701 |
| ORB.ENERGY,a.u. | -1.607200 | ||
| NORM | .999998 | < R > | 3.327040 | < R2 > | 12.450765 | < 1/R > | .444187 | < 1/R**2 > | 1.543553 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.869252 | .75741072 |
| 2 | 1s | 8.102270 | .25623385 |
| 3 | 2s | 7.913288 | -.01549390 |
| 4 | 3s | 9.682529 | -.00034504 |
| 5 | 4s | 8.245496 | .00011458 |
| ORB.ENERGY,a.u. | -31.607000 |
| NORM | 1.000000 | < R > | .187494 | < R2 > | .046875 | < 1/R > | 8.000492 | < 1/R**2 > | 128.016269 |
Total Energy= -33.57143439 a.u.
Kinetic Energy= 33.57891602 a.u.
Potential Energy= -67.15035041 a.u.
Virial Ratio = -1.99977719