(1s 2 2s 2 2p 2 4d 1 ) 2 P P 8+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2142.
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 | 2.686004 | 1.20815393 |
| 2 | 4d | 2.257673 | -1.74275612 |
| 3 | 3d | 5.554376 | .06175154 |
| 4 | 5d | 8.249848 | -.01169312 |
| 5 | 4d | 16.117568 | .00014953 |
| 6 | 5d | 2.024080 | .01385937 |
| 7 | 3d | 20.056729 | .00014249 |
| ORB.ENERGY,a.u. | -2.621800 | ||
| NORM | .999999 | < R > | 2.238330 | < R2 > | 5.742678 | < 1/R > | .594762 | < 1/R**2 > | .587009 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.809779 | 1.15071559 |
| 2 | 3p | 6.855529 | -.17387678 |
| 3 | 2p | 14.677366 | .01970113 |
| 4 | 4p | 17.203973 | .00699128 |
| 5 | 5p | 25.003404 | -.00134493 |
| 6 | 5p | 2.413074 | -.00010585 |
| 7 | 4p | 67.450995 | .00003047 |
| ORB.ENERGY,a.u. | -14.997000 | ||
| NORM | 1.000000 | < R > | .409930 | < R2 > | .204173 | < 1/R > | 3.097311 | < 1/R**2 > | 13.050040 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.923350 | .41150524 |
| 2 | 2s | 6.451848 | -.85423929 |
| 3 | 3s | 6.610385 | -.28053482 |
| 4 | 4s | 24.895558 | .00220604 |
| 5 | 3s | 14.228672 | .01654902 |
| 6 | 5s | 6.653466 | -.02725189 |
| ORB.ENERGY,a.u. | -14.334000 | ||
| NORM | 1.000000 | < R > | .467465 | < R2 > | .256260 | < 1/R > | 3.132117 | < 1/R**2 > | 39.835630 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.110173 | .92170869 |
| 2 | 1s | 21.589683 | .07719064 |
| 3 | 2s | 13.471001 | .01932084 |
| 4 | 3s | 16.734252 | -.01553522 |
| 5 | 5s | 35.663235 | .00099062 |
| 6 | 4s | 86.715763 | -.00003329 |
| 7 | 5s | 11.516001 | .00052901 |
| ORB.ENERGY,a.u. | -89.095000 |
| NORM | 1.000000 | < R > | .103184 | < R2 > | .014276 | < 1/R > | 14.628608 | < 1/R**2 > | 431.109770 |
Total Energy= -294.31201759 a.u.
Kinetic Energy= 294.31686786 a.u.
Potential Energy= -588.62888545 a.u.
Virial Ratio = -1.99998352