(1s 2 4d 1 ) 2 D N 4+
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 | 1.281055 | 1.95040337 |
| 2 | 4d | 1.250591 | -2.45722851 |
| 3 | 3d | 4.479284 | .00069805 |
| 4 | 5d | 14.381046 | .00019789 |
| 5 | 5d | 1.195218 | -.00664262 |
| 6 | 4d | 23.947843 | .00004000 |
| ORB.ENERGY,a.u. | -.781700 | ||
| NORM | .999999 | < R > | 4.196996 | < R2 > | 20.134061 | < 1/R > | .312912 | < 1/R**2 > | .156917 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 6.261781 | .70807210 |
| 2 | 1s | 9.246869 | .23302740 |
| 3 | 2s | 7.098889 | .08401883 |
| 4 | 3s | 7.250773 | -.01440261 |
| 5 | 4s | 12.599243 | .00502074 |
| 6 | 5s | 52.921231 | -.00002160 |
| 7 | 5s | 7.117589 | -.00044510 |
| ORB.ENERGY,a.u. | -19.900000 |
| NORM | 1.000000 | < R > | .226479 | < R2 > | .068892 | < 1/R > | 6.687360 | < 1/R**2 > | 90.566218 |
Total Energy= -45.51991700 a.u.
Kinetic Energy= 45.51780601 a.u.
Potential Energy= -91.03772301 a.u.
Virial Ratio = -2.00004638