(1s 2 2s 2 2p 2 4d 1 ) 4 F O +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4342.
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 | .622664 | 1.25032031 |
| 2 | 4d | .504836 | -1.66447723 |
| 3 | 3d | 2.068315 | .03449462 |
| 4 | 5d | 1.031833 | -.07997877 |
| 5 | 4d | 4.603919 | .00385420 |
| 6 | 5d | 12.159070 | .00028474 |
| 7 | 4d | 20.872743 | .00004963 |
| ORB.ENERGY,a.u. | -.130180 | ||
| NORM | 1.000000 | < R > | 9.939375 | < R2 > | 113.848175 | < 1/R > | .137008 | < 1/R**2 > | .032872 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.292176 | .77665352 |
| 2 | 2p | 3.880652 | .22984930 |
| 3 | 2p | 8.093348 | .01382139 |
| 4 | 3p | 1.565326 | .02887731 |
| 5 | 4p | 1.451603 | -.00661098 |
| 6 | 5p | 16.831389 | -.00092223 |
| 7 | 4p | 24.491777 | -.00017163 |
| 8 | 5p | .500413 | -.00021554 |
| ORB.ENERGY,a.u. | -1.838300 | ||
| NORM | 1.000000 | < R > | .986357 | < R2 > | 1.204978 | < 1/R > | 1.317432 | < 1/R**2 > | 2.429182 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 6.679715 | .31140252 |
| 2 | 2s | 2.924149 | -.84312088 |
| 3 | 3s | 2.524254 | -.26499275 |
| 4 | 4s | 9.703392 | .01834817 |
| 5 | 3s | 11.225031 | .00706020 |
| 6 | 5s | 2.637394 | -.00661310 |
| 7 | 5s | 19.786283 | .00060967 |
| ORB.ENERGY,a.u. | -1.469000 | ||
| NORM | 1.000000 | < R > | 1.034284 | < R2 > | 1.269552 | < 1/R > | 1.388024 | < 1/R**2 > | 7.840264 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.340075 | .73695789 |
| 2 | 1s | 10.790193 | .19547680 |
| 3 | 1s | 2.216772 | .00408610 |
| 4 | 2s | 7.733949 | .09950539 |
| 5 | 3s | 8.868449 | -.02276962 |
| 6 | 4s | 15.077211 | .00463099 |
| 7 | 5s | 3.858890 | -.00080675 |
| ORB.ENERGY,a.u. | -20.744000 |
| NORM | 1.000000 | < R > | .198211 | < R2 > | .052885 | < 1/R > | 7.650574 | < 1/R**2 > | 118.575913 |
Total Energy= -73.22854296 a.u.
Kinetic Energy= 73.23037761 a.u.
Potential Energy= -146.45892057 a.u.
Virial Ratio = -1.99997495