(1s 2 2s 2 2p 1 3d 1 ) 3 F S 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3332.
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 | 3d- electron | |
| 1 | 3d | 3.904585 | .92225823 |
| 2 | 3d | 7.329202 | .04980743 |
| 3 | 4d | 3.318288 | .05647471 |
| 4 | 5d | 24.932828 | -.00028698 |
| 5 | 5d | 3.008021 | -.01087258 |
| 6 | 4d | 2.118480 | .00164989 |
| ORB.ENERGY,a.u. | -7.028400 | ||
| NORM | 1.000000 | < R > | .892715 | < R2 > | .918388 | < 1/R > | 1.321514 | < 1/R**2 > | 2.127092 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.621638 | 1.08421990 |
| 2 | 3p | 8.274869 | -.10480835 |
| 3 | 2p | 15.151987 | .01526574 |
| 4 | 5p | 17.428507 | .00383975 |
| 5 | 4p | 33.827640 | -.00044789 |
| 6 | 5p | 6.221376 | .01018431 |
| 7 | 5p | 108.030814 | -.00000782 |
| ORB.ENERGY,a.u. | -19.563000 | ||
| NORM | 1.000000 | < R > | .371509 | < R2 > | .167480 | < 1/R > | 3.409256 | < 1/R**2 > | 15.751758 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.787813 | .37673936 |
| 2 | 2s | 6.083389 | -.80949604 |
| 3 | 3s | 8.858943 | -.28249013 |
| 4 | 4s | 30.018424 | .00116972 |
| 5 | 5s | 17.223492 | -.01013642 |
| 6 | 5s | 6.757320 | .01361913 |
| ORB.ENERGY,a.u. | -19.943000 | ||
| NORM | 1.000000 | < R > | .425855 | < R2 > | .212333 | < 1/R > | 3.448850 | < 1/R**2 > | 48.119692 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.171515 | .93456322 |
| 2 | 1s | 23.705676 | .06318497 |
| 3 | 2s | 14.130521 | .02418861 |
| 4 | 3s | 22.659737 | -.00900969 |
| 5 | 4s | 18.863866 | -.01162249 |
| 6 | 5s | 40.993828 | .00074945 |
| 7 | 5s | 7.434135 | .00003664 |
| 8 | 3s | 70.759255 | -.00003763 |
| ORB.ENERGY,a.u. | -106.510000 |
| NORM | 1.000000 | < R > | .096358 | < R2 > | .012435 | < 1/R > | 15.647821 | < 1/R**2 > | 492.775069 |
Total Energy= -323.32786305 a.u.
Kinetic Energy= 323.41190352 a.u.
Potential Energy= -646.73976657 a.u.
Virial Ratio = -1.99974014