(1s 2 2s 2 2p 4 4d 1 ) 4 D Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4242.
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 | .914766 | 1.13894227 |
| 2 | 4d | .763076 | -1.67665366 |
| 3 | 3d | 3.370746 | .04328074 |
| 4 | 4d | 2.166545 | .04997070 |
| 5 | 5d | 5.561802 | -.00373153 |
| 6 | 4d | 21.074646 | .00003717 |
| ORB.ENERGY,a.u. | -.295400 | ||
| NORM | 1.000002 | < R > | 6.565873 | < R2 > | 49.688278 | < 1/R > | .207629 | < 1/R**2 > | .075702 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.188660 | 1.36697820 |
| 2 | 3p | 3.860111 | -.43516454 |
| 3 | 2p | 8.698412 | .06114862 |
| 4 | 4p | 9.911182 | .01963473 |
| 5 | 5p | 24.836602 | .00029438 |
| 6 | 5p | 2.263000 | .02241167 |
| 7 | 4p | 40.366244 | .00007701 |
| 8 | 4p | 1.963421 | -.02363292 |
| ORB.ENERGY,a.u. | -3.338000 | ||
| NORM | 1.000000 | < R > | .689951 | < R2 > | .593191 | < 1/R > | 1.895022 | < 1/R**2 > | 5.049485 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.071658 | .33503211 |
| 2 | 2s | 4.234574 | -.82980857 |
| 3 | 3s | 3.562796 | -.29490156 |
| 4 | 4s | 13.870503 | .01093679 |
| 5 | 3s | 15.399847 | .00466466 |
| 6 | 5s | 28.267741 | .00037830 |
| 7 | 5s | 2.709750 | -.00061705 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .727778 | < R2 > | .629437 | < 1/R > | 1.991962 | < 1/R**2 > | 16.292761 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243691 | .91123927 |
| 2 | 1s | 15.432956 | .08736851 |
| 3 | 2s | 5.656241 | .01836253 |
| 4 | 3s | 7.096226 | -.01929687 |
| 5 | 4s | 9.048834 | .00950593 |
| 6 | 5s | 26.229413 | .00115109 |
| 7 | 4s | 61.709313 | -.00004590 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142635 | < R2 > | .027370 | < 1/R > | 10.617148 | < 1/R**2 > | 227.849022 |
Total Energy= -157.71386363 a.u.
Kinetic Energy= 157.71914954 a.u.
Potential Energy= -315.43301316 a.u.
Virial Ratio = -1.99996649