(1s 1 4d 1 ) 3 D C 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 1.482641 | 1.27974576 |
| 2 | 4d | 1.233572 | -1.89051253 |
| 3 | 5d | 1.711698 | .16790165 |
| 4 | 4d | 3.377241 | -.01329098 |
| 5 | 5d | 12.126545 | .00005044 |
| 6 | 4d | 6.196599 | -.00117062 |
| ORB.ENERGY,a.u. | -.790380 | ||
| NORM | 1.000002 | < R > | 4.196579 | < R2 > | 20.130255 | < 1/R > | .312959 | < 1/R**2 > | .156971 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 5.892931 | .75789389 |
| 2 | 1s | 6.102183 | .25569967 |
| 3 | 2s | 5.938437 | -.01545171 |
| 4 | 3s | 5.856100 | -.00034247 |
| 5 | 4s | 5.122866 | .00015061 |
| ORB.ENERGY,a.u. | -17.665000 |
| NORM | 1.000000 | < R > | .250023 | < R2 > | .083354 | < 1/R > | 5.999694 | < 1/R**2 > | 71.994564 |
Total Energy= -18.78518889 a.u.
Kinetic Energy= 18.78171011 a.u.
Potential Energy= -37.56689900 a.u.
Virial Ratio = -2.00018522