(1s 2 2s 2 2p 3 4s 1 ) 5 S Na 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5040.
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 | 4s- electron | |
| 1 | 1s | 9.604786 | .06998116 |
| 2 | 2s | 1.884771 | -1.04623810 |
| 3 | 3s | 1.867048 | 2.17806721 |
| 4 | 4s | 1.179219 | -1.52006907 |
| 5 | 5s | 2.745844 | -.28673108 |
| 6 | 4s | 8.978821 | -.04587473 |
| 7 | 5s | 11.390106 | .01314117 |
| 8 | 5s | 34.401296 | -.00027632 |
| 9 | 5s | 1.065501 | .05659418 |
| 10 | 4s | 51.410297 | -.00006295 |
| ORB.ENERGY,a.u. | -.707560 | ||
| NORM | .999999 | < R > | 4.273575 | < R2 > | 20.527096 | < 1/R > | .329420 | < 1/R**2 > | .879939 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.756783 | 1.49945746 |
| 2 | 3p | 4.876185 | -.64786134 |
| 3 | 4p | 6.072230 | .14046503 |
| 4 | 5p | 19.110716 | -.00341946 |
| 5 | 4p | 2.484113 | .01690386 |
| 6 | 4p | 26.936058 | -.00116564 |
| 7 | 5p | 2.414147 | -.00746357 |
| 8 | 5p | 86.866358 | -.00002050 |
| ORB.ENERGY,a.u. | -4.776500 | ||
| NORM | 1.000000 | < R > | .645439 | < R2 > | .512937 | < 1/R > | 1.998533 | < 1/R**2 > | 5.536345 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.959115 | .35281903 |
| 2 | 2s | 4.352176 | -.84722644 |
| 3 | 3s | 3.800510 | -.28769994 |
| 4 | 4s | 17.976228 | .00251700 |
| 5 | 3s | 10.524525 | .02009743 |
| 6 | 5s | 2.502097 | -.00660810 |
| 7 | 4s | 1.171534 | .01000256 |
| ORB.ENERGY,a.u. | -4.555500 | ||
| NORM | 1.000000 | < R > | .704881 | < R2 > | .588354 | < 1/R > | 2.057760 | < 1/R**2 > | 17.317794 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.164930 | .90207749 |
| 2 | 1s | 15.454276 | .09813267 |
| 3 | 2s | 8.432695 | .01761851 |
| 4 | 3s | 12.140695 | -.01538159 |
| 5 | 4s | 19.260824 | .00358358 |
| 6 | 5s | 33.994039 | .00028242 |
| 7 | 5s | 6.585861 | .00040106 |
| 8 | 4s | 1.239342 | -.00158537 |
| 9 | 3s | 1.133161 | .00135680 |
| ORB.ENERGY,a.u. | -42.494000 |
| NORM | 1.000000 | < R > | .142444 | < R2 > | .027281 | < 1/R > | 10.625724 | < 1/R**2 > | 228.127905 |
Total Energy= -154.55493372 a.u.
Kinetic Energy= 154.56228121 a.u.
Potential Energy= -309.11721493 a.u.
Virial Ratio = -1.99995246