(1s 1 5d 1 ) 3 D N 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 | 1.199511 | 3.55339289 |
| 2 | 4d | 1.200200 | -8.86550907 |
| 3 | 5d | 1.200530 | 6.00658220 |
| 4 | 3d | 7.221837 | .00052955 |
| 5 | 5d | 5.128631 | .00071336 |
| ORB.ENERGY,a.u. | -.736400 | ||
| NORM | 1.000003 | < R > | 5.746482 | < R2 > | 37.456626 | < 1/R > | .240286 | < 1/R**2 > | .115705 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.880404 | .75766013 |
| 2 | 1s | 7.102270 | .25601895 |
| 3 | 2s | 6.938234 | -.01555571 |
| 4 | 3s | 7.657116 | -.00023675 |
| ORB.ENERGY,a.u. | -24.256000 |
| NORM | 1.000000 | < R > | .214296 | < R2 > | .061232 | < 1/R > | 6.999805 | < 1/R**2 > | 97.995959 |
Total Energy= -25.22295361 a.u.
Kinetic Energy= 25.22035065 a.u.
Potential Energy= -50.44330426 a.u.
Virial Ratio = -2.00010321