(1s 2 2s 1 2p 1 ) 1 P C 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1121.
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 | 2p- electron | |
| 1 | 2p | 1.687849 | .81578160 |
| 2 | 2p | 3.204689 | .22898351 |
| 3 | 3p | 5.062246 | -.02128191 |
| 4 | 4p | 1.635061 | .02022074 |
| 5 | 5p | 12.191893 | -.00189597 |
| 6 | 4p | 17.887854 | -.00040067 |
| ORB.ENERGY,a.u. | -1.235100 | ||
| NORM | 1.000000 | < R > | 1.348567 | < R2 > | 2.253781 | < 1/R > | .965158 | < 1/R**2 > | 1.306313 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 5.092786 | .29877382 |
| 2 | 2s | 2.083556 | -.83723274 |
| 3 | 3s | 2.105406 | -.22571179 |
| 4 | 4s | 7.025453 | .02893422 |
| 5 | 5s | 2.116747 | -.04012372 |
| 6 | 5s | 13.184457 | .00528862 |
| 7 | 4s | 17.919975 | .00167544 |
| 8 | 3s | 78.017780 | -.00000735 |
| ORB.ENERGY,a.u. | -1.532000 | ||
| NORM | 1.000000 | < R > | 1.406174 | < R2 > | 2.335497 | < 1/R > | 1.020032 | < 1/R**2 > | 4.287134 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.254891 | .87826884 |
| 2 | 1s | 8.469751 | .13186750 |
| 3 | 2s | 3.387791 | .01281076 |
| 4 | 3s | 5.895119 | -.01799709 |
| 5 | 4s | 10.401853 | .00443286 |
| 6 | 5s | 2.815488 | .00307038 |
| 7 | 5s | 29.455946 | -.00012323 |
| 8 | 3s | 27.435874 | -.00009546 |
| ORB.ENERGY,a.u. | -12.472000 |
| NORM | 1.000000 | < R > | .269081 | < R2 > | .097943 | < 1/R > | 5.658981 | < 1/R**2 > | 65.152989 |
Total Energy= -36.16178113 a.u.
Kinetic Energy= 35.96117960 a.u.
Potential Energy= -72.12296073 a.u.
Virial Ratio = -2.00557828