(1s 2 2s 2 2p 1 5s 1 ) 3 P Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 5s- electron | |
| 1 | 1s | 9.486133 | .06484247 |
| 2 | 2s | 1.596202 | -1.57952488 |
| 3 | 3s | 1.901109 | 3.22540132 |
| 4 | 4s | 1.290606 | -6.61982844 |
| 5 | 5s | 1.306193 | 5.83418962 |
| 6 | 5s | 8.452130 | .06289254 |
| 7 | 4s | 7.076221 | -.13230784 |
| 8 | 4s | 19.575757 | -.00152037 |
| 9 | 5s | 1.003783 | -.01026899 |
| 10 | 4s | 41.701809 | -.00011861 |
| ORB.ENERGY,a.u. | -.838560 | ||
| NORM | .999998 | < R > | 5.383652 | < R2 > | 32.429499 | < 1/R > | .267566 | < 1/R**2 > | .708149 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.150907 | 1.07289000 |
| 2 | 3p | 4.956488 | -.10365619 |
| 3 | 2p | 9.992210 | .02791630 |
| 4 | 5p | 12.775285 | .00562035 |
| 5 | 4p | 26.909167 | -.00014605 |
| 6 | 5p | 4.426297 | .01349910 |
| 7 | 4p | 3.673879 | -.00493230 |
| ORB.ENERGY,a.u. | -7.407000 | ||
| NORM | 1.000000 | < R > | .584036 | < R2 > | .414566 | < 1/R > | 2.175757 | < 1/R**2 > | 6.451578 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.628506 | .34074222 |
| 2 | 2s | 3.949912 | -.78132470 |
| 3 | 3s | 5.593502 | -.27668145 |
| 4 | 4s | 21.371124 | .00163095 |
| 5 | 5s | 11.357908 | -.01837413 |
| 6 | 5s | 1.478400 | .00809098 |
| 7 | 3s | .960907 | -.02834536 |
| 8 | 3s | 40.134230 | .00002754 |
| 9 | 2s | .779295 | .02170176 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .657250 | < R2 > | .506590 | < 1/R > | 2.212045 | < 1/R**2 > | 19.824529 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.216558 | .92177214 |
| 2 | 1s | 16.014289 | .08075832 |
| 3 | 2s | 9.015514 | .01610685 |
| 4 | 3s | 11.588069 | -.01564367 |
| 5 | 4s | 57.882700 | -.00006515 |
| 6 | 5s | 25.403275 | .00121548 |
| 7 | 5s | 5.963304 | .00012706 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141854 | < R2 > | .027000 | < 1/R > | 10.653308 | < 1/R**2 > | 229.038638 |
Total Energy= -143.28270210 a.u.
Kinetic Energy= 143.28426623 a.u.
Potential Energy= -286.56696833 a.u.
Virial Ratio = -1.99998908