(1s 2 2s 2 2p 1 5d 1 ) 3 F N +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3352.
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 | 5d- electron | |
| 1 | 3d | .538157 | 1.26355932 |
| 2 | 4d | .421799 | -4.67631732 |
| 3 | 5d | .408113 | 3.88511722 |
| 4 | 3d | 1.965708 | .03992688 |
| 5 | 4d | .351585 | .21425602 |
| 6 | 5d | 1.588436 | .03286646 |
| 7 | 4d | 5.163927 | .00065577 |
| 8 | 5d | 20.333273 | .00003013 |
| ORB.ENERGY,a.u. | -.082906 | ||
| NORM | .999996 | < R > | 16.518323 | < R2 > | 310.919510 | < 1/R > | .086617 | < 1/R**2 > | .016870 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.065674 | .82863178 |
| 2 | 2p | 3.489162 | .17905545 |
| 3 | 2p | 7.707518 | .01041702 |
| 4 | 3p | .749602 | -.00116295 |
| 5 | 4p | 1.848180 | .01944874 |
| 6 | 4p | 12.348666 | -.00070935 |
| ORB.ENERGY,a.u. | -1.631700 | ||
| NORM | 1.000000 | < R > | 1.123009 | < R2 > | 1.552038 | < 1/R > | 1.149339 | < 1/R**2 > | 1.836940 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.423318 | .26789213 |
| 2 | 2s | 2.004553 | -.76153362 |
| 3 | 3s | 3.466470 | -.27667192 |
| 4 | 4s | 12.471112 | .00250727 |
| 5 | 5s | 7.073391 | -.02222137 |
| 6 | 5s | 2.236155 | .02967155 |
| 7 | 4s | 20.016932 | .00014168 |
| 8 | 4s | 1.818241 | -.00868931 |
| ORB.ENERGY,a.u. | -1.962200 | ||
| NORM | 1.000000 | < R > | 1.179452 | < R2 > | 1.644652 | < 1/R > | 1.210886 | < 1/R**2 > | 5.925084 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.194447 | .00546171 |
| 2 | 1s | 6.254756 | .70968868 |
| 3 | 1s | 9.333285 | .22642893 |
| 4 | 2s | 7.154945 | .08427983 |
| 5 | 3s | 7.837890 | -.01439519 |
| 6 | 4s | 12.814729 | .00574662 |
| 7 | 5s | 24.966009 | .00013030 |
| ORB.ENERGY,a.u. | -16.800000 |
| NORM | 1.000000 | < R > | .227664 | < R2 > | .069766 | < 1/R > | 6.663998 | < 1/R**2 > | 90.058145 |
Total Energy= -52.89790733 a.u.
Kinetic Energy= 52.89870195 a.u.
Potential Energy= -105.79660928 a.u.
Virial Ratio = -1.99998498