(1s 2 2s 1 5d 1 ) 1 D F 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 1.355457 | 2.27392872 |
| 2 | 4d | 1.277048 | -5.50575066 |
| 3 | 5d | 1.183060 | 3.86645013 |
| 4 | 3d | 5.163993 | .00761943 |
| 5 | 4d | 1.786595 | .05314227 |
| 6 | 5d | 3.526850 | .00485991 |
| 7 | 5d | .950580 | -.02324843 |
| 8 | 5d | 17.223075 | -.00010591 |
| ORB.ENERGY,a.u. | -.720900 | ||
| NORM | .999998 | < R > | 5.734375 | < R2 > | 37.343771 | < 1/R > | .242401 | < 1/R**2 > | .119633 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.326807 | .39280355 |
| 2 | 2s | 3.677701 | -.87267842 |
| 3 | 3s | 4.243817 | -.25189698 |
| 4 | 4s | 10.544466 | .02529766 |
| 5 | 3s | 12.469671 | .00901506 |
| 6 | 5s | 6.708926 | -.00801168 |
| 7 | 5s | 21.400059 | .00081738 |
| 8 | 4s | 3.262767 | -.00688640 |
| 9 | 3s | 1.565878 | .00025564 |
| ORB.ENERGY,a.u. | -6.540900 | ||
| NORM | 1.000000 | < R > | .778345 | < R2 > | .706719 | < 1/R > | 1.871048 | < 1/R**2 > | 14.138402 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.190556 | .86402515 |
| 2 | 1s | 12.104164 | .13591382 |
| 3 | 2s | 5.767271 | .02887336 |
| 4 | 3s | 7.271964 | -.03238209 |
| 5 | 4s | 16.480499 | .00400373 |
| 6 | 5s | 9.692504 | .00425680 |
| 7 | 5s | 60.370195 | -.00002139 |
| ORB.ENERGY,a.u. | -31.913000 |
| NORM | 1.000000 | < R > | .174259 | < R2 > | .040750 | < 1/R > | 8.676854 | < 1/R**2 > | 152.093903 |
Total Energy= -83.03494757 a.u.
Kinetic Energy= 83.00033613 a.u.
Potential Energy= -166.03528370 a.u.
Virial Ratio = -2.00041700