(1s 2 2s 2 5d 1 ) 2 D S 11+
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 | 2.653700 | 2.37615857 |
| 2 | 4d | 2.380137 | -7.94629133 |
| 3 | 5d | 2.425999 | 6.27601422 |
| 4 | 3d | 5.750002 | .05502067 |
| 5 | 5d | 9.051069 | -.01056077 |
| 6 | 4d | 35.933635 | .00016519 |
| 7 | 5d | 2.082181 | .03890538 |
| 8 | 5d | 48.400824 | -.00007702 |
| ORB.ENERGY,a.u. | -2.922500 | ||
| NORM | .999997 | < R > | 2.829949 | < R2 > | 9.088313 | < 1/R > | .490339 | < 1/R**2 > | .491433 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.412225 | .40305957 |
| 2 | 2s | 6.527342 | -.81415690 |
| 3 | 3s | 8.520504 | -.28826044 |
| 4 | 5s | 15.950492 | -.01490553 |
| 5 | 4s | 31.639193 | .00218825 |
| 6 | 5s | 46.718674 | -.00031798 |
| 7 | 5s | 7.131842 | .00704310 |
| ORB.ENERGY,a.u. | -23.283000 | ||
| NORM | 1.000000 | < R > | .415412 | < R2 > | .201531 | < 1/R > | 3.540702 | < 1/R**2 > | 50.492459 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.139004 | .93549307 |
| 2 | 1s | 24.028604 | .06364787 |
| 3 | 2s | 16.517928 | .01965636 |
| 4 | 3s | 18.625979 | -.01664935 |
| 5 | 5s | 37.684123 | .00095455 |
| 6 | 4s | 89.267343 | -.00003721 |
| 7 | 5s | 19.182761 | -.00119902 |
| ORB.ENERGY,a.u. | -112.020000 |
| NORM | 1.000000 | < R > | .096143 | < R2 > | .012368 | < 1/R > | 15.670542 | < 1/R**2 > | 493.891987 |
Total Energy= -298.60341272 a.u.
Kinetic Energy= 298.60021692 a.u.
Potential Energy= -597.20362964 a.u.
Virial Ratio = -2.00001070