(1s 2 2s 2 2p 4 4d 1 ) 4 D F 0
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 | .289861 | 1.40619937 |
| 2 | 4d | .248678 | -1.85470426 |
| 3 | 3d | 1.274529 | .00759532 |
| 4 | 5d | .540148 | -.03248314 |
| 5 | 4d | 3.265791 | .00249330 |
| 6 | 5d | 7.888532 | .00038342 |
| 7 | 4d | 13.677189 | .00006170 |
| ORB.ENERGY,a.u. | -.031673 | ||
| NORM | .999999 | < R > | 20.644450 | < R2 > | 488.162505 | < 1/R > | .064253 | < 1/R**2 > | .006821 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.212567 | .67427304 |
| 2 | 2p | 3.945808 | .31709825 |
| 3 | 2p | 9.780233 | .01604108 |
| 4 | 3p | 1.536908 | .05855105 |
| 5 | 4p | 9.454202 | .01378960 |
| 6 | 4p | .938766 | -.04537729 |
| 7 | 3p | 12.427264 | .00328216 |
| 8 | 5p | 1.046064 | .03663008 |
| ORB.ENERGY,a.u. | -1.125300 | ||
| NORM | 1.000000 | < R > | .969970 | < R2 > | 1.195613 | < 1/R > | 1.377756 | < 1/R**2 > | 2.731948 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.474782 | .30347110 |
| 2 | 2s | 3.284809 | -.83710645 |
| 3 | 3s | 2.608738 | -.31946505 |
| 4 | 4s | 4.846011 | .03021235 |
| 5 | 3s | 8.648602 | .02625690 |
| 6 | 5s | 18.315746 | .00087166 |
| 7 | 5s | 2.297353 | -.00545764 |
| 8 | 3s | 30.214662 | -.00007367 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .960925 | < R2 > | 1.108630 | < 1/R > | 1.503349 | < 1/R**2 > | 9.296304 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.236484 | .87432923 |
| 2 | 1s | 12.232178 | .12129216 |
| 3 | 1s | 6.776686 | .00013870 |
| 4 | 2s | 6.001248 | .01822823 |
| 5 | 3s | 8.230768 | -.00758959 |
| 6 | 4s | 17.052502 | .00297949 |
| 7 | 5s | 53.079274 | -.00003922 |
| 8 | 5s | 4.100847 | .00043269 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175669 | < R2 > | .041563 | < 1/R > | 8.632449 | < 1/R**2 > | 150.887247 |
Total Energy= -98.86348961 a.u.
Kinetic Energy= 98.86339967 a.u.
Potential Energy= -197.72688927 a.u.
Virial Ratio = -2.00000091