(1s 2 2s 2 2p 1 3d 1 ) 1 F Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1332.
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 | 3d- electron | |
| 1 | 3d | 2.004022 | .98854675 |
| 2 | 3d | 5.669780 | .01550404 |
| 3 | 4d | 3.724324 | .00581587 |
| 4 | 5d | 16.185906 | -.00019614 |
| ORB.ENERGY,a.u. | -2.004600 | ||
| NORM | 1.000000 | < R > | 1.732303 | < R2 > | 3.440632 | < 1/R > | .677394 | < 1/R**2 > | .556488 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.170911 | 1.12045117 |
| 2 | 3p | 5.118294 | -.13749938 |
| 3 | 2p | 10.752265 | .01857773 |
| 4 | 5p | 12.876683 | .00387257 |
| 5 | 4p | 2.067155 | -.00796414 |
| 6 | 5p | 31.116042 | -.00012808 |
| 7 | 4p | 1.925891 | .00532449 |
| 8 | 3p | 96.417452 | .00000185 |
| ORB.ENERGY,a.u. | -6.855300 | ||
| NORM | 1.000000 | < R > | .579224 | < R2 > | .406854 | < 1/R > | 2.189647 | < 1/R**2 > | 6.523387 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.729849 | .33427926 |
| 2 | 2s | 3.794653 | -.79451049 |
| 3 | 3s | 5.847103 | -.27371112 |
| 4 | 4s | 20.892752 | .00157059 |
| 5 | 5s | 11.480391 | -.01566033 |
| 6 | 5s | 4.419030 | .01986928 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .659727 | < R2 > | .510922 | < 1/R > | 2.204332 | < 1/R**2 > | 19.698382 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.213583 | .92140753 |
| 2 | 1s | 16.018513 | .08111673 |
| 3 | 2s | 9.108566 | .01623044 |
| 4 | 3s | 11.634493 | -.01582483 |
| 5 | 4s | 57.828124 | -.00006505 |
| 6 | 5s | 25.375578 | .00122057 |
| 7 | 4s | 6.085150 | .00017301 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141857 | < R2 > | .027001 | < 1/R > | 10.653238 | < 1/R**2 > | 229.037430 |
Total Energy= -144.52323065 a.u.
Kinetic Energy= 144.45087611 a.u.
Potential Energy= -288.97410676 a.u.
Virial Ratio = -2.00050089