(1s 2 2s 2 2p 1 4d 1 ) 1 D Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 1.847278 | 1.10493518 |
| 2 | 4d | 1.507346 | -1.66847343 |
| 3 | 3d | 3.462319 | .05478957 |
| 4 | 5d | 7.276091 | .00686264 |
| 5 | 4d | 9.214995 | .00691129 |
| 6 | 5d | 12.032341 | -.00099900 |
| 7 | 3d | 14.639019 | .00043387 |
| 8 | 5d | 1.394232 | .03030475 |
| ORB.ENERGY,a.u. | -1.178700 | ||
| NORM | 1.000001 | < R > | 3.314228 | < R2 > | 12.594340 | < 1/R > | .402746 | < 1/R**2 > | .271441 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.118763 | 1.09546841 |
| 2 | 3p | 4.992559 | -.12664150 |
| 3 | 2p | 9.704394 | .02939925 |
| 4 | 5p | 11.937983 | .00593258 |
| 5 | 4p | 23.572318 | -.00051048 |
| 6 | 5p | 74.612294 | -.00000983 |
| 7 | 5p | 2.410782 | -.00148203 |
| 8 | 4p | 3.405970 | .00596137 |
| ORB.ENERGY,a.u. | -7.269300 | ||
| NORM | 1.000000 | < R > | .585522 | < R2 > | .416835 | < 1/R > | 2.171303 | < 1/R**2 > | 6.428734 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.723798 | .33531171 |
| 2 | 2s | 3.803907 | -.79503048 |
| 3 | 3s | 5.845001 | -.27418075 |
| 4 | 4s | 20.915779 | .00162279 |
| 5 | 5s | 11.433627 | -.01563718 |
| 6 | 5s | 4.270266 | .02182432 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .658044 | < R2 > | .507902 | < 1/R > | 2.209310 | < 1/R**2 > | 19.777699 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.213895 | .92140446 |
| 2 | 1s | 15.996762 | .08127839 |
| 3 | 2s | 8.828800 | .01659197 |
| 4 | 3s | 11.368351 | -.01614195 |
| 5 | 4s | 53.516638 | -.00008397 |
| 6 | 5s | 25.517599 | .00100250 |
| 7 | 4s | 5.210757 | .00008213 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141850 | < R2 > | .026998 | < 1/R > | 10.653562 | < 1/R**2 > | 229.048202 |
Total Energy= -143.61053806 a.u.
Kinetic Energy= 143.62502865 a.u.
Potential Energy= -287.23556670 a.u.
Virial Ratio = -1.99989911