(1s 2 2s 2 2p 1 3p 1 ) 3 P Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
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 | 3p- electron | |
| 1 | 2p | 2.642439 | .47458288 |
| 2 | 3p | 2.265045 | -1.34911741 |
| 3 | 2p | 7.017048 | .02285178 |
| 4 | 4p | 18.370037 | -.00071290 |
| 5 | 5p | 54.661017 | -.00002239 |
| 6 | 5p | 2.159308 | -.01080912 |
| ORB.ENERGY,a.u. | -2.403300 | ||
| NORM | 1.000000 | < R > | 1.762120 | < R2 > | 3.441420 | < 1/R > | .644748 | < 1/R**2 > | .540404 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.054489 | 1.00578838 |
| 2 | 3p | 2.111359 | -.29503796 |
| 3 | 2p | 7.608094 | .10704639 |
| 4 | 5p | 9.859285 | .01254487 |
| 5 | 4p | 18.363623 | -.00265903 |
| 6 | 5p | 2.102694 | .03101351 |
| 7 | 3p | 22.437978 | -.00056594 |
| 8 | 4p | 1.770939 | -.01600751 |
| ORB.ENERGY,a.u. | -7.034200 | ||
| NORM | 1.000000 | < R > | .562159 | < R2 > | .433976 | < 1/R > | 2.310021 | < 1/R**2 > | 7.186037 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.728163 | .33377427 |
| 2 | 2s | 3.793039 | -.79517085 |
| 3 | 3s | 5.811788 | -.27401575 |
| 4 | 4s | 20.913369 | .00152514 |
| 5 | 5s | 11.512778 | -.01536118 |
| 6 | 5s | 4.547674 | .02077096 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .660743 | < R2 > | .512531 | < 1/R > | 2.200540 | < 1/R**2 > | 19.635099 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.211567 | .92220663 |
| 2 | 1s | 16.042118 | .08053020 |
| 3 | 2s | 8.854893 | .01666578 |
| 4 | 3s | 11.522781 | -.01616336 |
| 5 | 4s | 54.412485 | -.00008113 |
| 6 | 5s | 25.257822 | .00105853 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141916 | < R2 > | .027028 | < 1/R > | 10.650207 | < 1/R**2 > | 228.934764 |
Total Energy= -144.83400222 a.u.
Kinetic Energy= 144.84877399 a.u.
Potential Energy= -289.68277621 a.u.
Virial Ratio = -1.99989802