(1s 2 2s 2 2p 2 4d 1 ) 4 D F 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4242.
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 | .922193 | 1.26843001 |
| 2 | 4d | .756639 | -1.68968216 |
| 3 | 3d | 2.988679 | .04706894 |
| 4 | 5d | 1.519517 | -.07851666 |
| 5 | 4d | 3.840933 | -.00588291 |
| 6 | 5d | 12.098138 | -.00014200 |
| ORB.ENERGY,a.u. | -.291920 | ||
| NORM | .999999 | < R > | 6.640223 | < R2 > | 50.829687 | < 1/R > | .205135 | < 1/R**2 > | .073351 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.776865 | .79415222 |
| 2 | 2p | 4.572251 | .21573567 |
| 3 | 2p | 9.349598 | .01226709 |
| 4 | 3p | 1.763329 | .01834716 |
| 5 | 4p | 1.574916 | -.00579120 |
| 6 | 5p | 19.194695 | -.00079149 |
| 7 | 4p | 27.627708 | -.00014513 |
| ORB.ENERGY,a.u. | -2.957300 | ||
| NORM | 1.000000 | < R > | .819294 | < R2 > | .826684 | < 1/R > | 1.575388 | < 1/R**2 > | 3.445245 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.460208 | .33171354 |
| 2 | 2s | 3.417516 | -.84978418 |
| 3 | 3s | 3.106854 | -.25816821 |
| 4 | 4s | 10.466974 | .01588443 |
| 5 | 3s | 12.055373 | .01105490 |
| 6 | 5s | 3.202718 | -.01476252 |
| 7 | 5s | 33.825326 | -.00013029 |
| 8 | 2s | 43.156437 | .00002930 |
| ORB.ENERGY,a.u. | -2.543200 | ||
| NORM | 1.000000 | < R > | .881122 | < R2 > | .917916 | < 1/R > | 1.636131 | < 1/R**2 > | 10.900516 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.278353 | .68785797 |
| 2 | 1s | 12.187893 | .22286461 |
| 3 | 1s | 2.720733 | .00569269 |
| 4 | 2s | 9.052141 | .12781210 |
| 5 | 3s | 10.112354 | -.02752614 |
| 6 | 4s | 17.020512 | .00329777 |
| 7 | 5s | 4.851432 | -.00124760 |
| 8 | 5s | 52.892708 | -.00003466 |
| ORB.ENERGY,a.u. | -27.478000 |
| NORM | 1.000000 | < R > | .175221 | < R2 > | .041294 | < 1/R > | 8.645569 | < 1/R**2 > | 151.232831 |
Total Energy= -95.61100860 a.u.
Kinetic Energy= 95.61154075 a.u.
Potential Energy= -191.22254935 a.u.
Virial Ratio = -1.99999443