(1s 2 2s 2 2p 1 4d 1 ) 3 F S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3342.
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 | 3.288962 | 1.20144138 |
| 2 | 4d | 2.754617 | -1.72256193 |
| 3 | 3d | 6.682545 | .04080597 |
| 4 | 5d | 19.344843 | -.00048362 |
| 5 | 4d | 12.901202 | .00409433 |
| 6 | 5d | 2.024428 | .01622466 |
| 7 | 3d | 22.365227 | .00020409 |
| 8 | 4d | 1.728583 | -.01292071 |
| ORB.ENERGY,a.u. | -3.906200 | ||
| NORM | 1.000000 | < R > | 1.839033 | < R2 > | 3.871042 | < 1/R > | .720810 | < 1/R**2 > | .856178 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.675074 | 1.07370650 |
| 2 | 3p | 8.260962 | -.08964846 |
| 3 | 2p | 16.446367 | .01232603 |
| 4 | 5p | 20.338859 | .00277746 |
| 5 | 5p | 4.852506 | -.00214336 |
| 6 | 4p | 5.862026 | .00746991 |
| 7 | 4p | 2.806085 | -.00055438 |
| ORB.ENERGY,a.u. | -20.052000 | ||
| NORM | 1.000000 | < R > | .368154 | < R2 > | .163951 | < 1/R > | 3.431403 | < 1/R**2 > | 15.923542 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.763618 | .37885074 |
| 2 | 2s | 6.110778 | -.81149911 |
| 3 | 3s | 8.815022 | -.28391146 |
| 4 | 4s | 29.915239 | .00121265 |
| 5 | 5s | 17.242935 | -.00999020 |
| 6 | 5s | 6.750741 | .01719370 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .424504 | < R2 > | .210819 | < 1/R > | 3.459321 | < 1/R**2 > | 48.385619 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.171749 | .93433654 |
| 2 | 1s | 23.650391 | .06350212 |
| 3 | 2s | 13.958800 | .02424836 |
| 4 | 3s | 22.664891 | -.00900901 |
| 5 | 4s | 18.696313 | -.01182239 |
| 6 | 5s | 41.643866 | .00076497 |
| 7 | 3s | 75.622514 | -.00002918 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096360 | < R2 > | .012435 | < 1/R > | 15.647541 | < 1/R**2 > | 492.760193 |
Total Energy= -320.26291514 a.u.
Kinetic Energy= 320.28950253 a.u.
Potential Energy= -640.55241767 a.u.
Virial Ratio = -1.99991699