(1s 2 2s 2 2p 2 5d 1 ) 4 D Na 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4252.
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 | 5d- electron | |
| 1 | 3d | 1.269484 | 1.49884943 |
| 2 | 4d | 1.131254 | -3.81904093 |
| 3 | 5d | .998161 | 2.94951917 |
| 4 | 3d | 2.991024 | .09117520 |
| 5 | 5d | 4.449971 | -.02228731 |
| 6 | 4d | 8.379865 | .00251845 |
| 7 | 5d | .776943 | -.02117620 |
| 8 | 5d | 20.555798 | .00003024 |
| 9 | 3d | 13.409100 | .00026671 |
| ORB.ENERGY,a.u. | -.518500 | ||
| NORM | 1.000005 | < R > | 6.615149 | < R2 > | 49.776214 | < 1/R > | .213800 | < 1/R**2 > | .099511 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.852154 | 1.22695192 |
| 2 | 3p | 4.680799 | -.25120911 |
| 3 | 2p | 11.040214 | .01976640 |
| 4 | 4p | 12.509240 | .00950393 |
| 5 | 5p | 17.226524 | -.00196361 |
| 6 | 5p | 3.093876 | .00214779 |
| 7 | 3p | 28.221237 | .00014463 |
| 8 | 3p | 1.962466 | -.00158054 |
| ORB.ENERGY,a.u. | -6.096800 | ||
| NORM | 1.000000 | < R > | .612959 | < R2 > | .459317 | < 1/R > | 2.087455 | < 1/R**2 > | 5.985981 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.007424 | .36333265 |
| 2 | 2s | 4.422292 | -.82555236 |
| 3 | 3s | 4.502237 | -.26829181 |
| 4 | 4s | 17.486736 | .00283861 |
| 5 | 3s | 10.945726 | .01735174 |
| 6 | 5s | 4.493732 | -.04166509 |
| ORB.ENERGY,a.u. | -5.457800 | ||
| NORM | 1.000000 | < R > | .679682 | < R2 > | .543703 | < 1/R > | 2.135310 | < 1/R**2 > | 18.557207 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.126605 | .89440943 |
| 2 | 1s | 15.410151 | .10595220 |
| 3 | 2s | 9.687649 | .01797953 |
| 4 | 3s | 11.815107 | -.01486740 |
| 5 | 5s | 26.560282 | .00135817 |
| 6 | 4s | 68.200980 | -.00003311 |
| 7 | 5s | 8.579566 | .00097650 |
| ORB.ENERGY,a.u. | -43.976000 |
| NORM | 1.000000 | < R > | .142181 | < R2 > | .027153 | < 1/R > | 10.637951 | < 1/R**2 > | 228.531180 |
Total Energy= -149.28725089 a.u.
Kinetic Energy= 149.28908556 a.u.
Potential Energy= -298.57633645 a.u.
Virial Ratio = -1.99998771