(1s 1 3d 1 ) 1 D P 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 4.665879 | 1.00014099 |
| 2 | 3d | 11.377935 | -.00027778 |
| 3 | 4d | 48.811469 | .00002054 |
| ORB.ENERGY,a.u. | -11.230000 | ||
| NORM | 1.000000 | < R > | .750215 | < R2 > | .643194 | < 1/R > | 1.554984 | < 1/R**2 > | 2.901199 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.760890 | .88937653 |
| 2 | 1s | 17.407555 | .10544838 |
| 3 | 2s | 16.212438 | .01042191 |
| 4 | 3s | 15.249170 | -.00533275 |
| 5 | 4s | 17.015945 | .00017955 |
| 6 | 5s | 18.658464 | .00029119 |
| ORB.ENERGY,a.u. | -111.230000 |
| NORM | 1.000000 | < R > | .099995 | < R2 > | .013332 | < 1/R > | 15.000416 | < 1/R**2 > | 450.018638 |
Total Energy= -123.41489788 a.u.
Kinetic Energy= 123.38712463 a.u.
Potential Energy= -246.80202251 a.u.
Virial Ratio = -2.00022509