(1s 2 2s 2 2p 1 3d 1 ) 3 F P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3332.
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 | 3.571533 | .91564563 |
| 2 | 3d | 6.784176 | .05164502 |
| 3 | 4d | 3.018786 | .06426997 |
| 4 | 5d | 22.982001 | -.00030302 |
| 5 | 5d | 2.695990 | -.01394893 |
| 6 | 4d | 1.996203 | .00339174 |
| ORB.ENERGY,a.u. | -5.823200 | ||
| NORM | 1.000000 | < R > | .977662 | < R2 > | 1.102236 | < 1/R > | 1.207865 | < 1/R**2 > | 1.779400 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.111790 | 1.09054021 |
| 2 | 3p | 7.632081 | -.11382324 |
| 3 | 2p | 13.762556 | .01789041 |
| 4 | 5p | 15.649119 | .00454779 |
| 5 | 4p | 30.865937 | -.00064495 |
| 6 | 5p | 5.666371 | .01024368 |
| 7 | 5p | 96.425973 | -.00001335 |
| ORB.ENERGY,a.u. | -16.541000 | ||
| NORM | 1.000000 | < R > | .401443 | < R2 > | .195732 | < 1/R > | 3.158309 | < 1/R**2 > | 13.535328 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.969604 | .37053715 |
| 2 | 2s | 5.637488 | -.80634946 |
| 3 | 3s | 8.234545 | -.28040796 |
| 4 | 4s | 28.307823 | .00120463 |
| 5 | 5s | 16.052100 | -.01123849 |
| 6 | 5s | 6.265352 | .01274613 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .458409 | < R2 > | .246128 | < 1/R > | 3.199320 | < 1/R**2 > | 41.427506 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.166451 | .93092687 |
| 2 | 1s | 21.875738 | .06869733 |
| 3 | 2s | 13.016642 | .01915284 |
| 4 | 3s | 16.042739 | -.01652408 |
| 5 | 4s | 74.296282 | -.00006299 |
| 6 | 5s | 34.563960 | .00080047 |
| 7 | 5s | 9.005033 | .00008405 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .102965 | < R2 > | .014202 | < 1/R > | 14.648736 | < 1/R**2 > | 432.033686 |
Total Energy= -281.84369117 a.u.
Kinetic Energy= 281.91868900 a.u.
Potential Energy= -563.76238017 a.u.
Virial Ratio = -1.99973397