(1s 2 2s 1 5d 1 ) 3 D F 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 1.336968 | 2.34893046 |
| 2 | 4d | 1.279112 | -5.80753262 |
| 3 | 5d | 1.208153 | 4.04681454 |
| 4 | 3d | 3.862369 | .02713744 |
| 5 | 4d | .843503 | .06206997 |
| 6 | 5d | 3.567452 | .01675557 |
| 7 | 4d | 8.511159 | -.00112114 |
| 8 | 5d | .820174 | -.01648860 |
| ORB.ENERGY,a.u. | -.731990 | ||
| NORM | .999996 | < R > | 5.648455 | < R2 > | 36.199679 | < 1/R > | .245521 | < 1/R**2 > | .123238 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.334542 | .39180293 |
| 2 | 2s | 3.667980 | -.87183911 |
| 3 | 3s | 4.207902 | -.25115673 |
| 4 | 4s | 10.733750 | .03057229 |
| 5 | 3s | 11.961883 | .00894470 |
| 6 | 5s | 7.082460 | -.01044365 |
| 7 | 4s | 3.363310 | -.00268201 |
| 8 | 5s | 13.249090 | -.00684134 |
| ORB.ENERGY,a.u. | -6.552000 | ||
| NORM | 1.000000 | < R > | .778605 | < R2 > | .707045 | < 1/R > | 1.869725 | < 1/R**2 > | 14.114490 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.164308 | .86545671 |
| 2 | 1s | 12.170703 | .13630816 |
| 3 | 2s | 5.942029 | .03006159 |
| 4 | 3s | 7.436147 | -.03286545 |
| 5 | 4s | 18.820375 | .00319646 |
| 6 | 5s | 9.494432 | .00281063 |
| 7 | 5s | 26.018365 | -.00044565 |
| 8 | 3s | 19.632574 | -.00074527 |
| ORB.ENERGY,a.u. | -31.913000 |
| NORM | 1.000000 | < R > | .174254 | < R2 > | .040747 | < 1/R > | 8.676989 | < 1/R**2 > | 152.097391 |
Total Energy= -83.03529787 a.u.
Kinetic Energy= 83.01142908 a.u.
Potential Energy= -166.04672696 a.u.
Virial Ratio = -2.00028754