(1s 2 2s 2 2p 1 3d 1 ) 1 F P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1332.
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 | 3d- electron | |
| 1 | 3d | 3.392485 | .96294625 |
| 2 | 3d | 8.370847 | .01519166 |
| 3 | 4d | 2.949345 | .04387933 |
| 4 | 5d | 23.676422 | -.00015958 |
| 5 | 5d | 2.940660 | -.01218523 |
| ORB.ENERGY,a.u. | -5.585300 | ||
| NORM | 1.000000 | < R > | 1.036004 | < R2 > | 1.230603 | < 1/R > | 1.132104 | < 1/R**2 > | 1.551570 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.175965 | 1.10056924 |
| 2 | 3p | 7.485710 | -.11025068 |
| 3 | 2p | 16.293503 | .01039086 |
| 4 | 5p | 19.760624 | .00184257 |
| 5 | 4p | 3.949080 | -.00203332 |
| 6 | 2p | 66.139301 | -.00000337 |
| ORB.ENERGY,a.u. | -16.303000 | ||
| NORM | 1.000000 | < R > | .394387 | < R2 > | .188022 | < 1/R > | 3.201269 | < 1/R**2 > | 13.853904 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.966621 | .37087184 |
| 2 | 2s | 5.641485 | -.80656817 |
| 3 | 3s | 8.230505 | -.28059596 |
| 4 | 4s | 28.507677 | .00120873 |
| 5 | 5s | 15.941069 | -.01129293 |
| 6 | 5s | 6.282423 | .01325898 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .458165 | < R2 > | .245837 | < 1/R > | 3.201055 | < 1/R**2 > | 41.470543 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.168084 | .93137683 |
| 2 | 1s | 21.884047 | .06831814 |
| 3 | 2s | 12.958210 | .01900116 |
| 4 | 3s | 16.022002 | -.01641467 |
| 5 | 4s | 74.043928 | -.00006477 |
| 6 | 5s | 34.455680 | .00078951 |
| 7 | 4s | 7.315877 | .00007081 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102971 | < R2 > | .014204 | < 1/R > | 14.648114 | < 1/R**2 > | 432.004315 |
Total Energy= -281.83509640 a.u.
Kinetic Energy= 281.68032687 a.u.
Potential Energy= -563.51542327 a.u.
Virial Ratio = -2.00054945