(1s 2 2s 2 4d 1 ) 2 D B 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | .282489 | 1.43253255 |
| 2 | 4d | .248779 | -1.92200870 |
| 3 | 3d | .901069 | .03039840 |
| 4 | 5d | 1.370932 | -.01229854 |
| 5 | 4d | 3.386315 | .00063957 |
| 6 | 5d | 12.697157 | .00002976 |
| ORB.ENERGY,a.u. | -.031595 | ||
| NORM | 1.000001 | < R > | 20.673957 | < R2 > | 489.921659 | < 1/R > | .064311 | < 1/R**2 > | .006846 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 4.622279 | .23289230 |
| 2 | 2s | 1.321768 | -.73856893 |
| 3 | 3s | 2.174300 | -.27511595 |
| 4 | 4s | 9.048849 | .00448408 |
| 5 | 5s | 4.536512 | -.03929727 |
| 6 | 3s | 2.348099 | .00618783 |
| 7 | 4s | 1.326124 | .01386137 |
| 8 | 5s | 24.410522 | .00007068 |
| 9 | 2s | 37.425027 | -.00000448 |
| ORB.ENERGY,a.u. | -.764630 | ||
| NORM | 1.000000 | < R > | 1.799018 | < R2 > | 3.829852 | < 1/R > | .779893 | < 1/R**2 > | 2.412327 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.210555 | .73073374 |
| 2 | 1s | 7.022813 | .22103947 |
| 3 | 2s | 5.660309 | .07583242 |
| 4 | 3s | 5.063254 | -.01369938 |
| 5 | 4s | 8.893930 | .00380432 |
| 6 | 5s | 20.142745 | -.00001319 |
| 7 | 3s | 14.493099 | -.00047413 |
| ORB.ENERGY,a.u. | -7.901300 |
| NORM | 1.000000 | < R > | .325270 | < R2 > | .142684 | < 1/R > | 4.679177 | < 1/R**2 > | 44.605184 |
Total Energy= -24.26959592 a.u.
Kinetic Energy= 24.26917304 a.u.
Potential Energy= -48.53876896 a.u.
Virial Ratio = -2.00001742