(1s 2 2s 2 2p 2 ) 1 D P 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1221.
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 | 2p- electron | |
| 1 | 2p | 5.967988 | 1.10105710 |
| 2 | 3p | 7.611907 | -.12327272 |
| 3 | 2p | 14.053579 | .01872635 |
| 4 | 5p | 18.474764 | .00322665 |
| 5 | 4p | 35.319643 | -.00010049 |
| 6 | 5p | 6.229139 | .01242527 |
| 7 | 4p | 5.857542 | -.00269797 |
| ORB.ENERGY,a.u. | -15.358000 | ||
| NORM | 1.000000 | < R > | .411335 | < R2 > | .205738 | < 1/R > | 3.089875 | < 1/R**2 > | 13.002531 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.798035 | .37066109 |
| 2 | 2s | 5.734549 | -.82205098 |
| 3 | 3s | 7.465595 | -.28627908 |
| 4 | 4s | 28.040130 | .00113912 |
| 5 | 5s | 16.323901 | -.00882435 |
| 6 | 5s | 9.420474 | .02734696 |
| ORB.ENERGY,a.u. | -16.877000 | ||
| NORM | 1.000000 | < R > | .466716 | < R2 > | .255376 | < 1/R > | 3.137278 | < 1/R**2 > | 39.958087 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.162453 | .93986635 |
| 2 | 1s | 22.143614 | .06242392 |
| 3 | 2s | 11.176864 | .01803521 |
| 4 | 3s | 15.471060 | -.01621547 |
| 5 | 4s | 64.185840 | -.00036967 |
| 6 | 5s | 7.678071 | .00130500 |
| 7 | 5s | 86.885355 | .00013226 |
| 8 | 3s | 5.936813 | -.00182671 |
| ORB.ENERGY,a.u. | -92.406000 |
| NORM | 1.000000 | < R > | .103181 | < R2 > | .014275 | < 1/R > | 14.628836 | < 1/R**2 > | 431.119748 |
Total Energy= -291.69447454 a.u.
Kinetic Energy= 291.44184032 a.u.
Potential Energy= -583.13631486 a.u.
Virial Ratio = -2.00086684