(1s 2 2s 2 2p 2 5d 1 ) 2 D S 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 2.455929 | 1.79305934 |
| 2 | 4d | 2.122851 | -4.85567439 |
| 3 | 5d | 1.980397 | 3.78127091 |
| 4 | 3d | 8.663775 | .01205292 |
| 5 | 5d | 4.675659 | -.01524742 |
| 6 | 4d | 22.461772 | -.00013785 |
| 7 | 5d | 1.325845 | -.01899265 |
| 8 | 4d | 1.044891 | .00934579 |
| ORB.ENERGY,a.u. | -2.016100 | ||
| NORM | .999999 | < R > | 3.413898 | < R2 > | 13.241715 | < 1/R > | .408897 | < 1/R**2 > | .345732 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.292976 | 1.10946615 |
| 2 | 3p | 7.277215 | -.14081384 |
| 3 | 2p | 14.469288 | .02783092 |
| 4 | 4p | 16.114579 | .00756050 |
| 5 | 5p | 29.089505 | -.00024764 |
| 6 | 5p | 1.891395 | -.00065155 |
| 7 | 4p | 69.469092 | .00001815 |
| 8 | 3p | 1.360855 | .00070514 |
| ORB.ENERGY,a.u. | -18.095000 | ||
| NORM | 1.000000 | < R > | .378143 | < R2 > | .173540 | < 1/R > | 3.352875 | < 1/R**2 > | 15.265150 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.624380 | .42196173 |
| 2 | 2s | 6.969656 | -.86307488 |
| 3 | 3s | 7.112222 | -.28398853 |
| 4 | 4s | 26.948347 | .00209888 |
| 5 | 3s | 14.880493 | .01704276 |
| 6 | 5s | 7.147115 | -.02189885 |
| ORB.ENERGY,a.u. | -17.188000 | ||
| NORM | 1.000000 | < R > | .433286 | < R2 > | .220013 | < 1/R > | 3.384410 | < 1/R**2 > | 46.478720 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.112489 | .92671873 |
| 2 | 1s | 23.112277 | .07200994 |
| 3 | 2s | 14.125842 | .01947936 |
| 4 | 3s | 17.752720 | -.01558768 |
| 5 | 5s | 37.685090 | .00090209 |
| 6 | 4s | 89.351173 | -.00003668 |
| 7 | 5s | 11.795783 | .00036629 |
| ORB.ENERGY,a.u. | -102.910000 |
| NORM | 1.000000 | < R > | .096557 | < R2 > | .012497 | < 1/R > | 15.626874 | < 1/R**2 > | 491.746694 |
Total Energy= -336.98028543 a.u.
Kinetic Energy= 336.94464043 a.u.
Potential Energy= -673.92492586 a.u.
Virial Ratio = -2.00010579