(1s 2 2s 2 2p 4 5d 1 ) 2 F P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2352.
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 | 5d- electron | |
| 1 | 3d | 1.941069 | 1.18213540 |
| 2 | 4d | 1.429430 | -4.87309448 |
| 3 | 5d | 1.413094 | 4.45729394 |
| 4 | 3d | 4.782242 | .05816027 |
| 5 | 5d | 7.206140 | -.01420078 |
| 6 | 4d | 15.141797 | .00056199 |
| 7 | 5d | 1.145938 | -.02924372 |
| 8 | 3d | 21.679007 | .00009466 |
| ORB.ENERGY,a.u. | -1.010200 | ||
| NORM | 1.000005 | < R > | 4.758251 | < R2 > | 25.746542 | < 1/R > | .296349 | < 1/R**2 > | .189033 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.128889 | 1.17889669 |
| 2 | 3p | 5.957370 | -.24903183 |
| 3 | 2p | 11.528672 | .06764088 |
| 4 | 4p | 13.515130 | .01245991 |
| 5 | 5p | 35.432212 | -.00014530 |
| 6 | 5p | .935353 | .00003107 |
| 7 | 4p | 4.680999 | -.00154601 |
| ORB.ENERGY,a.u. | -10.983000 | ||
| NORM | 1.000000 | < R > | .440944 | < R2 > | .238598 | < 1/R > | 2.913150 | < 1/R**2 > | 11.696476 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.021237 | .38721133 |
| 2 | 2s | 6.247633 | -.85327477 |
| 3 | 3s | 5.590625 | -.30201042 |
| 4 | 4s | 16.927454 | .00778380 |
| 5 | 3s | 19.218826 | .00600903 |
| 6 | 5s | 30.866607 | .00069547 |
| 7 | 5s | 6.566873 | .00959426 |
| 8 | 3s | 47.564087 | -.00007008 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .489515 | < R2 > | .282389 | < 1/R > | 2.984007 | < 1/R**2 > | 36.419549 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.210879 | .92279684 |
| 2 | 1s | 20.928881 | .07367341 |
| 3 | 2s | 8.784065 | .02035439 |
| 4 | 3s | 10.789439 | -.02029655 |
| 5 | 4s | 13.364539 | .00939304 |
| 6 | 5s | 35.982577 | .00085864 |
| 7 | 4s | 85.199742 | -.00003443 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103536 | < R2 > | .014395 | < 1/R > | 14.597132 | < 1/R**2 > | 429.675752 |
Total Energy= -317.70276846 a.u.
Kinetic Energy= 317.69800216 a.u.
Potential Energy= -635.40077062 a.u.
Virial Ratio = -2.00001500