(1s 1 4s 1 ) 1 S O 6+
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 | 3.612902 | .19586106 |
| 2 | 2s | 2.390051 | -2.22105362 |
| 3 | 3s | 1.820895 | 5.17801635 |
| 4 | 4s | 1.761413 | -4.21365875 |
| 5 | 2s | 3.859427 | .32149371 |
| 6 | 5s | 4.882633 | .05597247 |
| 7 | 4s | 15.322801 | .00118894 |
| 8 | 5s | .870226 | .00029954 |
| ORB.ENERGY,a.u. | -1.595600 | ||
| NORM | 1.000000 | < R > | 3.345233 | < R2 > | 12.595638 | < 1/R > | .410625 | < 1/R**2 > | .657266 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | .846109 | .26891843 |
| 2 | 1s | 7.993207 | 1.00483469 |
| 3 | 1s | 4.977758 | -.01764841 |
| 4 | 2s | 2.963598 | -.12190255 |
| 5 | 3s | 1.447318 | -.30247520 |
| 6 | 4s | 2.227322 | .10778976 |
| 7 | 5s | 1.147867 | -.01345599 |
| 8 | 3s | 10.814126 | .00035274 |
| ORB.ENERGY,a.u. | -31.596000 |
| NORM | 1.000000 | < R > | .191927 | < R2 > | .070206 | < 1/R > | 8.032158 | < 1/R**2 > | 128.907117 |
Total Energy= -33.57575929 a.u.
Kinetic Energy= 33.56741534 a.u.
Potential Energy= -67.14317463 a.u.
Virial Ratio = -2.00024857