(1s 2 2s 2 2p 5 5d 1 ) 3 D P 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 | 1.599800 | 1.29149389 |
| 2 | 4d | 1.285421 | -4.19849231 |
| 3 | 5d | 1.204366 | 3.63762427 |
| 4 | 3d | 3.589747 | .07362171 |
| 5 | 5d | 5.266794 | -.01874293 |
| 6 | 4d | 9.878464 | .00520004 |
| 7 | 5d | 1.052840 | -.05930733 |
| 8 | 3d | 13.285728 | .00099169 |
| ORB.ENERGY,a.u. | -.741800 | ||
| NORM | .999999 | < R > | 5.547727 | < R2 > | 35.028780 | < 1/R > | .255580 | < 1/R**2 > | .142751 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.859900 | 1.22650353 |
| 2 | 3p | 5.740185 | -.30502736 |
| 3 | 2p | 11.238763 | .07677976 |
| 4 | 5p | 34.815942 | -.00013253 |
| 5 | 4p | 13.444562 | .01274067 |
| 6 | 5p | 3.489528 | .00025050 |
| ORB.ENERGY,a.u. | -9.347800 | ||
| NORM | 1.000000 | < R > | .459226 | < R2 > | .260480 | < 1/R > | 2.817988 | < 1/R**2 > | 11.032919 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.140547 | .37225889 |
| 2 | 2s | 6.145909 | -.83406639 |
| 3 | 3s | 5.434095 | -.30261466 |
| 4 | 4s | 18.513007 | .00417311 |
| 5 | 3s | 17.374615 | .00673521 |
| 6 | 5s | 36.561076 | .00041909 |
| 7 | 5s | 5.140548 | -.00282143 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .501310 | < R2 > | .297075 | < 1/R > | 2.911794 | < 1/R**2 > | 34.801439 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.204746 | .92329962 |
| 2 | 1s | 20.989005 | .07299298 |
| 3 | 2s | 8.544092 | .02100885 |
| 4 | 3s | 10.656846 | -.02130474 |
| 5 | 4s | 13.404362 | .01067629 |
| 6 | 5s | 35.678149 | .00079929 |
| 7 | 4s | 81.472221 | -.00004070 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103671 | < R2 > | .014442 | < 1/R > | 14.585246 | < 1/R**2 > | 429.138062 |
Total Energy= -327.06292001 a.u.
Kinetic Energy= 327.05804141 a.u.
Potential Energy= -654.12096142 a.u.
Virial Ratio = -2.00001492