(1s 1 3p 1 ) 3 P O 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 2p | 2.573147 | 1.19591126 |
| 2 | 3p | 2.278069 | -1.98019773 |
| 3 | 2p | 6.878949 | .02364858 |
| 4 | 4p | 2.279667 | .16796097 |
| 5 | 3p | 4.658788 | .03638962 |
| 6 | 5p | 16.109621 | -.00042654 |
| ORB.ENERGY,a.u. | -2.790500 | ||
| NORM | 1.000000 | < R > | 1.757895 | < R2 > | 3.561953 | < 1/R > | .793519 | < 1/R**2 > | 1.280895 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.860251 | .75723955 |
| 2 | 1s | 8.104353 | .25640979 |
| 3 | 2s | 8.085986 | -.01598681 |
| 4 | 3s | 3.247609 | -.00032979 |
| 5 | 4s | 9.184371 | .00087240 |
| 6 | 5s | 21.754591 | -.00002433 |
| 7 | 5s | 3.519154 | -.00007574 |
| ORB.ENERGY,a.u. | -31.235000 |
| NORM | 1.000000 | < R > | .187791 | < R2 > | .047038 | < 1/R > | 7.990980 | < 1/R**2 > | 127.765811 |
Total Energy= -34.74788439 a.u.
Kinetic Energy= 34.76223429 a.u.
Potential Energy= -69.51011868 a.u.
Virial Ratio = -1.99958720