(1s 2 2s 2 2p 1 3s 1 ) 1 P P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1130.
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 | 3s- electron | |
| 1 | 1s | 11.693803 | .19690956 |
| 2 | 2s | 4.218529 | -1.23389363 |
| 3 | 3s | 3.676579 | 1.81569657 |
| 4 | 4s | 8.672865 | -.04427967 |
| 5 | 5s | 16.503148 | -.00723993 |
| 6 | 5s | 3.136707 | .00180912 |
| 7 | 4s | 29.692466 | .00036748 |
| ORB.ENERGY,a.u. | -6.593900 | ||
| NORM | 1.000000 | < R > | 1.155590 | < R2 > | 1.505195 | < 1/R > | 1.219885 | < 1/R**2 > | 8.766801 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.159041 | 1.09127655 |
| 2 | 3p | 7.715990 | -.11144576 |
| 3 | 2p | 13.190646 | .01785951 |
| 4 | 5p | 10.251509 | .00605531 |
| 5 | 4p | 24.863564 | -.00208205 |
| 6 | 3p | 30.746987 | -.00038897 |
| 7 | 4p | 5.155920 | .00252957 |
| 8 | 5p | 4.024654 | -.00042972 |
| ORB.ENERGY,a.u. | -16.534000 | ||
| NORM | 1.000000 | < R > | .398263 | < R2 > | .191995 | < 1/R > | 3.175022 | < 1/R**2 > | 13.651764 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.766842 | .38236334 |
| 2 | 2s | 5.887244 | -.80299501 |
| 3 | 3s | 7.856868 | -.28537742 |
| 4 | 4s | 28.706848 | .00157379 |
| 5 | 5s | 15.526486 | -.01276925 |
| 6 | 5s | 4.488494 | .00785451 |
| 7 | 3s | 53.065632 | .00002938 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .454480 | < R2 > | .241283 | < 1/R > | 3.224946 | < 1/R**2 > | 42.033592 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.182666 | .94686763 |
| 2 | 1s | 23.339620 | .05390424 |
| 3 | 2s | 14.017228 | .02155246 |
| 4 | 3s | 17.314413 | -.02087514 |
| 5 | 4s | 75.294071 | -.00007039 |
| 6 | 5s | 32.860715 | .00108141 |
| 7 | 5s | 5.679994 | -.00133213 |
| 8 | 3s | 4.100492 | .00139869 |
| 9 | 4s | 3.637934 | -.00065279 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .103005 | < R2 > | .014216 | < 1/R > | 14.644883 | < 1/R**2 > | 431.850904 |
Total Energy= -282.72056459 a.u.
Kinetic Energy= 282.67403528 a.u.
Potential Energy= -565.39459987 a.u.
Virial Ratio = -2.00016460