(1s 2 2s 2 2p 3 4p 1 ) 5 P F +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5141.
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 | 1.763228 | .22131494 |
| 2 | 3p | 1.191093 | -.55532533 |
| 3 | 4p | .576352 | 1.47210712 |
| 4 | 5p | 1.125333 | -.41524840 |
| 5 | 2p | 5.556322 | .02956942 |
| 6 | 5p | .563420 | -.17145274 |
| 7 | 4p | 6.915913 | .00782728 |
| 8 | 5p | 3.597956 | -.03370849 |
| ORB.ENERGY,a.u. | -.173210 | ||
| NORM | 1.000000 | < R > | 8.249539 | < R2 > | 77.017030 | < 1/R > | .165011 | < 1/R**2 > | .079043 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.493057 | .74766906 |
| 2 | 2p | 4.212807 | .26924316 |
| 3 | 2p | 8.747600 | .01862682 |
| 4 | 3p | 2.722105 | -.00525460 |
| 5 | 4p | 1.927954 | .01915149 |
| 6 | 5p | 11.087121 | .00328226 |
| 7 | 5p | 1.832961 | -.00574097 |
| ORB.ENERGY,a.u. | -2.100400 | ||
| NORM | 1.000000 | < R > | .878863 | < R2 > | .961252 | < 1/R > | 1.486229 | < 1/R**2 > | 3.106768 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.535918 | .31211034 |
| 2 | 2s | 3.287784 | -.83722601 |
| 3 | 3s | 2.748736 | -.27023533 |
| 4 | 4s | 11.052424 | .01038692 |
| 5 | 3s | 12.039910 | .00760366 |
| 6 | 5s | 7.952147 | -.00448486 |
| 7 | 5s | 38.337669 | -.00013283 |
| 8 | 3s | 1.482062 | -.00036233 |
| 9 | 4s | 58.447479 | -.00002753 |
| 10 | 2s | 3.133299 | .00008324 |
| ORB.ENERGY,a.u. | -1.920100 | ||
| NORM | 1.000000 | < R > | .921355 | < R2 > | 1.010555 | < 1/R > | 1.564557 | < 1/R**2 > | 10.016781 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.099406 | .85286218 |
| 2 | 1s | 11.780090 | .15360230 |
| 3 | 2s | 7.654325 | -.00497663 |
| 4 | 3s | 4.634275 | .00173190 |
| 5 | 4s | 17.161970 | .00394562 |
| 6 | 5s | 8.764979 | .00159962 |
| 7 | 2s | 88.018485 | .00000117 |
| ORB.ENERGY,a.u. | -26.471000 |
| NORM | 1.000000 | < R > | .175519 | < R2 > | .041471 | < 1/R > | 8.636729 | < 1/R**2 > | 150.998625 |
Total Energy= -97.77865592 a.u.
Kinetic Energy= 97.78217600 a.u.
Potential Energy= -195.56083192 a.u.
Virial Ratio = -1.99996400