(1s 2 4d 1 ) 2 D F 6+
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 | 1.787102 | 1.97346236 |
| 2 | 4d | 1.750600 | -2.48418800 |
| 3 | 3d | 10.192872 | .00044911 |
| 4 | 5d | 34.999264 | .00000352 |
| 5 | 5d | 1.684814 | -.00434953 |
| 6 | 4d | 6.024865 | .00057398 |
| ORB.ENERGY,a.u. | -1.532200 | ||
| NORM | 1.000001 | < R > | 2.997958 | < R2 > | 10.273023 | < 1/R > | .438041 | < 1/R**2 > | .307459 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.074805 | .84725291 |
| 2 | 1s | 12.436464 | .14972946 |
| 3 | 2s | 10.754164 | .02071545 |
| 4 | 3s | 9.163943 | -.01625295 |
| 5 | 4s | 15.847551 | .00407142 |
| 6 | 5s | 62.572924 | -.00002748 |
| 7 | 5s | 8.836248 | -.00081937 |
| ORB.ENERGY,a.u. | -34.543000 |
| NORM | 1.000000 | < R > | .173945 | < R2 > | .040568 | < 1/R > | 8.687314 | < 1/R**2 > | 152.393587 |
Total Energy= -77.02106708 a.u.
Kinetic Energy= 77.01811216 a.u.
Potential Energy= -154.03917924 a.u.
Virial Ratio = -2.00003837