(1s 2 2s 2 2p 1 4p 1 ) 1 D P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1241.
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 | 6.118624 | .24090029 |
| 2 | 3p | 2.987516 | -.96925602 |
| 3 | 5p | 2.855391 | 1.39487464 |
| 4 | 4p | 4.194962 | -.26173621 |
| 5 | 5p | 7.811537 | .05032346 |
| 6 | 4p | 16.939520 | -.00372014 |
| 7 | 5p | 2.451794 | .15905188 |
| 8 | 5p | 38.666740 | -.00046145 |
| 9 | 4p | 59.118816 | -.00008865 |
| ORB.ENERGY,a.u. | -3.368600 | ||
| NORM | 1.000000 | < R > | 2.128605 | < R2 > | 5.111614 | < 1/R > | .604137 | < 1/R**2 > | .706508 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.171349 | 1.04080552 |
| 2 | 3p | 3.219184 | -.12976127 |
| 3 | 2p | 13.871006 | .02751277 |
| 4 | 5p | 10.988696 | -.02025049 |
| 5 | 5p | 2.803028 | .15393423 |
| 6 | 4p | 29.673670 | -.00043558 |
| 7 | 3p | 1.782016 | .00687183 |
| ORB.ENERGY,a.u. | -16.991000 | ||
| NORM | 1.000000 | < R > | .402718 | < R2 > | .234619 | < 1/R > | 3.250703 | < 1/R**2 > | 14.290719 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.940331 | .37287897 |
| 2 | 2s | 5.668068 | -.80865012 |
| 3 | 3s | 8.202767 | -.28206168 |
| 4 | 4s | 27.861136 | .00148980 |
| 5 | 5s | 15.847268 | -.01014504 |
| 6 | 5s | 6.237228 | .01542171 |
| 7 | 4s | 2.757992 | .00028137 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .456959 | < R2 > | .244355 | < 1/R > | 3.208874 | < 1/R**2 > | 41.654567 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.162765 | .93079513 |
| 2 | 1s | 21.858888 | .06896035 |
| 3 | 2s | 12.877103 | .01923873 |
| 4 | 3s | 15.971644 | -.01666862 |
| 5 | 4s | 73.959663 | -.00006776 |
| 6 | 5s | 34.199039 | .00077234 |
| 7 | 4s | 4.221321 | .00001376 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102985 | < R2 > | .014208 | < 1/R > | 14.646638 | < 1/R**2 > | 431.933995 |
Total Energy= -279.48266211 a.u.
Kinetic Energy= 279.46172496 a.u.
Potential Energy= -558.94438707 a.u.
Virial Ratio = -2.00007492