(1s 2 2s 2 5d 1 ) 2 D F 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | .389180 | -.02307127 |
| 2 | 3d | 1.415127 | 1.16353893 |
| 3 | 4d | 1.030082 | -4.58965458 |
| 4 | 5d | .997937 | 4.19116648 |
| 5 | 3d | 3.783913 | .02159954 |
| 6 | 4d | .684056 | -.09944410 |
| 7 | 5d | 1.546052 | .08431906 |
| 8 | 4d | 21.413204 | .00002877 |
| 9 | 5d | .541508 | .02873517 |
| 10 | 5d | 16.650247 | -.00003293 |
| ORB.ENERGY,a.u. | -.511710 | ||
| NORM | .999998 | < R > | 6.721546 | < R2 > | 51.317753 | < 1/R > | .207911 | < 1/R**2 > | .090374 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.341569 | .37202909 |
| 2 | 2s | 3.595354 | -.87077675 |
| 3 | 3s | 3.872617 | -.24793241 |
| 4 | 4s | 10.325546 | .01875128 |
| 5 | 3s | 11.857944 | .01285155 |
| 6 | 5s | 3.559249 | -.02089885 |
| 7 | 4s | 2.869115 | .00611939 |
| 8 | 5s | 32.532902 | -.00033698 |
| 9 | 4s | 47.930114 | -.00008706 |
| ORB.ENERGY,a.u. | -5.440000 | ||
| NORM | 1.000000 | < R > | .809355 | < R2 > | .766779 | < 1/R > | 1.787578 | < 1/R**2 > | 12.881335 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.044810 | .85039744 |
| 2 | 1s | 12.507789 | .14831827 |
| 3 | 2s | 10.692782 | .02064582 |
| 4 | 3s | 10.296709 | -.01517084 |
| 5 | 4s | 17.358455 | .00404214 |
| 6 | 5s | 10.350827 | -.00369810 |
| ORB.ENERGY,a.u. | -31.687000 |
| NORM | 1.000000 | < R > | .174309 | < R2 > | .040765 | < 1/R > | 8.673761 | < 1/R**2 > | 151.989253 |
Total Energy= -88.44709167 a.u.
Kinetic Energy= 88.44575184 a.u.
Potential Energy= -176.89284351 a.u.
Virial Ratio = -2.00001515