(1s 2 2s 2 2p 1 5p 1 ) 3 S Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3051.
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 | 5p- electron | |
| 1 | 2p | 3.469651 | .24818880 |
| 2 | 3p | 1.504294 | -2.40174114 |
| 3 | 4p | 1.296688 | 6.86740001 |
| 4 | 5p | 1.264780 | -5.22207037 |
| 5 | 2p | 7.418459 | .02448699 |
| 6 | 5p | 12.037082 | .00344814 |
| 7 | 5p | 2.662448 | -.13148884 |
| 8 | 4p | 35.228699 | -.00002769 |
| ORB.ENERGY,a.u. | -.787620 | ||
| NORM | 1.000000 | < R > | 5.561316 | < R2 > | 34.767029 | < 1/R > | .258168 | < 1/R**2 > | .236081 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.155622 | 1.07252849 |
| 2 | 3p | 4.959014 | -.10426644 |
| 3 | 2p | 9.949526 | .02825920 |
| 4 | 5p | 12.641345 | .00591370 |
| 5 | 4p | 26.977324 | -.00016070 |
| 6 | 5p | 4.423190 | .01300926 |
| 7 | 4p | 3.568644 | -.00407520 |
| ORB.ENERGY,a.u. | -7.407500 | ||
| NORM | 1.000000 | < R > | .583248 | < R2 > | .413458 | < 1/R > | 2.178646 | < 1/R**2 > | 6.468104 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.717054 | .33593576 |
| 2 | 2s | 3.812150 | -.79540259 |
| 3 | 3s | 5.829394 | -.27463999 |
| 4 | 4s | 20.831772 | .00167060 |
| 5 | 5s | 11.422934 | -.01546631 |
| 6 | 5s | 4.300316 | .02241370 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .657477 | < R2 > | .506910 | < 1/R > | 2.211117 | < 1/R**2 > | 19.808134 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.213503 | .92162219 |
| 2 | 1s | 15.995051 | .08117173 |
| 3 | 2s | 8.715040 | .01668491 |
| 4 | 3s | 11.306905 | -.01629217 |
| 5 | 4s | 53.778359 | -.00008876 |
| 6 | 5s | 25.239506 | .00098637 |
| 7 | 4s | 3.035776 | .00002410 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141864 | < R2 > | .027004 | < 1/R > | 10.652828 | < 1/R**2 > | 229.023004 |
Total Energy= -143.23308276 a.u.
Kinetic Energy= 143.23372359 a.u.
Potential Energy= -286.46680635 a.u.
Virial Ratio = -1.99999553