(1s 2 2s 2 2p 2 4d 1 ) 4 D P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4242.
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 | 4d- electron | |
| 1 | 3d | 2.776108 | 1.10603130 |
| 2 | 4d | 2.241307 | -1.63413757 |
| 3 | 3d | 6.028154 | .06396365 |
| 4 | 4d | 7.186561 | -.01380517 |
| 5 | 5d | 1.758081 | .02966309 |
| 6 | 5d | 22.128550 | -.00044844 |
| 7 | 4d | 36.538463 | -.00004184 |
| 8 | 4d | 1.437770 | -.01593959 |
| ORB.ENERGY,a.u. | -2.627100 | ||
| NORM | 1.000000 | < R > | 2.230137 | < R2 > | 5.701974 | < 1/R > | .598311 | < 1/R**2 > | .598200 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.846536 | 1.15468083 |
| 2 | 3p | 7.057830 | -.17405271 |
| 3 | 2p | 14.298006 | .01852013 |
| 4 | 4p | 15.314049 | .00329634 |
| 5 | 5p | 31.043076 | -.00050579 |
| 6 | 5p | 2.677508 | -.00047646 |
| 7 | 4p | 41.163220 | -.00010660 |
| ORB.ENERGY,a.u. | -15.002000 | ||
| NORM | 1.000000 | < R > | .410109 | < R2 > | .204337 | < 1/R > | 3.096054 | < 1/R**2 > | 13.040622 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.922876 | .41152162 |
| 2 | 2s | 6.452227 | -.85421851 |
| 3 | 3s | 6.609039 | -.28059408 |
| 4 | 4s | 24.881633 | .00220718 |
| 5 | 3s | 14.233869 | .01652938 |
| 6 | 5s | 6.655623 | -.02722006 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .467471 | < R2 > | .256266 | < 1/R > | 3.132065 | < 1/R**2 > | 39.834222 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.110173 | .92170931 |
| 2 | 1s | 21.590202 | .07718883 |
| 3 | 2s | 13.473724 | .01932061 |
| 4 | 3s | 16.734638 | -.01553513 |
| 5 | 5s | 35.670625 | .00099018 |
| 6 | 4s | 86.680921 | -.00003317 |
| 7 | 5s | 11.518095 | .00053044 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103184 | < R2 > | .014275 | < 1/R > | 14.628643 | < 1/R**2 > | 431.111426 |
Total Energy= -294.31173098 a.u.
Kinetic Energy= 294.32218351 a.u.
Potential Energy= -588.63391449 a.u.
Virial Ratio = -1.99996449