(1s 1 3d 1 ) 3 D N 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3232.
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 | 3d- electron | |
| 1 | 3d | 2.046462 | .92633919 |
| 2 | 3d | 6.944231 | .00077128 |
| 3 | 4d | 2.014615 | .07868835 |
| 4 | 5d | 24.063057 | .00002940 |
| ORB.ENERGY,a.u. | -2.017300 | ||
| NORM | 1.000000 | < R > | 1.748229 | < R2 > | 3.493710 | < 1/R > | .667606 | < 1/R**2 > | .535257 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.880404 | .75762227 |
| 2 | 1s | 7.102097 | .25601240 |
| 3 | 2s | 6.982230 | -.01532459 |
| 4 | 3s | 7.175348 | -.00049699 |
| 5 | 4s | 5.124452 | .00018874 |
| ORB.ENERGY,a.u. | -23.795000 |
| NORM | 1.000000 | < R > | .214323 | < R2 > | .061253 | < 1/R > | 6.999350 | < 1/R**2 > | 97.986597 |
Total Energy= -26.50951145 a.u.
Kinetic Energy= 26.50110101 a.u.
Potential Energy= -53.01061245 a.u.
Virial Ratio = -2.00031736