(1s 2 2s 2 2p 5 4s 1 ) 3 P Na +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3140.
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 | 4s- electron | |
| 1 | 1s | 9.707417 | .03860612 |
| 2 | 2s | 3.178257 | -.14903999 |
| 3 | 3s | 1.174125 | .76057866 |
| 4 | 4s | .719772 | -1.23466347 |
| 5 | 5s | 1.526011 | -.02728274 |
| 6 | 4s | 8.254941 | -.01723018 |
| 7 | 5s | 17.139810 | -.00157259 |
| 8 | 4s | 27.302697 | -.00028484 |
| 9 | 5s | .411590 | -.00114611 |
| ORB.ENERGY,a.u. | -.225220 | ||
| NORM | 1.000001 | < R > | 6.714919 | < R2 > | 50.874171 | < 1/R > | .201959 | < 1/R**2 > | .297587 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.829698 | 1.41151364 |
| 2 | 3p | 3.428223 | -.51844566 |
| 3 | 2p | 7.754991 | .10125115 |
| 4 | 4p | 8.798333 | .02800579 |
| 5 | 5p | 2.063267 | .03141672 |
| 6 | 4p | 1.797100 | -.03368960 |
| 7 | 5p | 25.878416 | -.00027816 |
| 8 | 4p | 16.776036 | .00062761 |
| ORB.ENERGY,a.u. | -2.366800 | ||
| NORM | 1.000000 | < R > | .739369 | < R2 > | .690866 | < 1/R > | 1.795706 | < 1/R**2 > | 4.604868 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.174348 | .27277397 |
| 2 | 2s | 3.161149 | -.71214577 |
| 3 | 3s | 6.242364 | -.26793369 |
| 4 | 4s | 4.868345 | -.06771566 |
| 5 | 5s | 12.974094 | -.00965234 |
| 6 | 5s | .797598 | .00193301 |
| 7 | 4s | 2.639473 | -.00988422 |
| 8 | 3s | 32.147613 | -.00008240 |
| ORB.ENERGY,a.u. | -2.975600 | ||
| NORM | 1.000000 | < R > | .753294 | < R2 > | .678851 | < 1/R > | 1.926645 | < 1/R**2 > | 15.311879 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.229990 | .91337152 |
| 2 | 1s | 15.492983 | .08642321 |
| 3 | 2s | 5.336596 | .01505994 |
| 4 | 3s | 7.011686 | -.01795016 |
| 5 | 4s | 9.122184 | .01103298 |
| 6 | 5s | 25.990867 | .00105297 |
| 7 | 4s | 58.288669 | -.00005541 |
| ORB.ENERGY,a.u. | -39.982000 |
| NORM | 1.000000 | < R > | .142771 | < R2 > | .027437 | < 1/R > | 10.611125 | < 1/R**2 > | 227.653664 |
Total Energy= -160.22142713 a.u.
Kinetic Energy= 160.22245282 a.u.
Potential Energy= -320.44387996 a.u.
Virial Ratio = -1.99999360