(1s 2 2s 2 2p 2 4d 1 ) 4 D Na 4+
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 | 1.539032 | 1.10522389 |
| 2 | 4d | 1.259933 | -1.63999791 |
| 3 | 3d | 3.466192 | .08831011 |
| 4 | 4d | .714312 | .00706766 |
| 5 | 5d | 12.649566 | .00017842 |
| 6 | 5d | 5.071687 | -.01891007 |
| 7 | 3d | 12.608782 | .00021803 |
| 8 | 4d | .597425 | -.00301153 |
| ORB.ENERGY,a.u. | -.816140 | ||
| NORM | 1.000000 | < R > | 3.968455 | < R2 > | 18.110820 | < 1/R > | .340259 | < 1/R**2 > | .198293 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.862146 | 1.23323697 |
| 2 | 3p | 4.731050 | -.25655687 |
| 3 | 2p | 10.715118 | .02012424 |
| 4 | 4p | 11.429595 | .00492691 |
| 5 | 5p | 23.484259 | -.00033926 |
| 6 | 5p | 2.166017 | -.00323500 |
| 7 | 4p | 2.290730 | .00483004 |
| ORB.ENERGY,a.u. | -5.963000 | ||
| NORM | 1.000000 | < R > | .613880 | < R2 > | .460906 | < 1/R > | 2.085214 | < 1/R**2 > | 5.975374 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.998775 | .36361166 |
| 2 | 2s | 4.428601 | -.82552039 |
| 3 | 3s | 4.495394 | -.26844829 |
| 4 | 4s | 17.569393 | .00281241 |
| 5 | 3s | 10.870182 | .01789585 |
| 6 | 5s | 4.490071 | -.04310497 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .680194 | < R2 > | .544635 | < 1/R > | 2.133846 | < 1/R**2 > | 18.533951 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.126760 | .89440964 |
| 2 | 1s | 15.409846 | .10594873 |
| 3 | 2s | 9.688270 | .01797947 |
| 4 | 3s | 11.814857 | -.01486726 |
| 5 | 5s | 26.557604 | .00136032 |
| 6 | 4s | 68.282333 | -.00003305 |
| 7 | 5s | 8.569659 | .00097666 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142179 | < R2 > | .027152 | < 1/R > | 10.638038 | < 1/R**2 > | 228.534168 |
Total Energy= -149.58281306 a.u.
Kinetic Energy= 149.58675267 a.u.
Potential Energy= -299.16956573 a.u.
Virial Ratio = -1.99997366