(1s 2 4p 1 ) 2 P O 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | .843296 | .05348120 |
| 2 | 2p | 1.515890 | 2.08130552 |
| 3 | 3p | 1.528253 | -5.77962719 |
| 4 | 4p | 1.520248 | 4.30854976 |
| 5 | 2p | 4.804121 | .03678449 |
| 6 | 3p | 6.890651 | -.01257175 |
| 7 | 5p | 20.738397 | -.00013021 |
| 8 | 5p | .861223 | -.00332758 |
| ORB.ENERGY,a.u. | -1.141100 | ||
| NORM | 1.000000 | < R > | 3.777267 | < R2 > | 16.189767 | < 1/R > | .382898 | < 1/R**2 > | .404428 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.363172 | .73001349 |
| 2 | 1s | 10.609142 | .20551671 |
| 3 | 2s | 7.654314 | .09851801 |
| 4 | 3s | 8.255830 | -.02351757 |
| 5 | 4s | 14.450515 | .00458325 |
| 6 | 5s | 61.530308 | -.00001720 |
| 7 | 5s | 7.786241 | -.00070607 |
| ORB.ENERGY,a.u. | -26.719000 |
| NORM | 1.000000 | < R > | .196838 | < R2 > | .051993 | < 1/R > | 7.685337 | < 1/R**2 > | 119.430485 |
Total Energy= -60.25200505 a.u.
Kinetic Energy= 60.25201115 a.u.
Potential Energy= -120.50401621 a.u.
Virial Ratio = -1.99999990