(1s 2 2s 2 2p 4 5s 1 ) 4 P S 7+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4150.
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 | 12.909364 | .06855921 |
| 2 | 2s | 4.593015 | -.37853152 |
| 3 | 3s | 2.254172 | 2.57254228 |
| 4 | 4s | 2.046234 | -4.73398414 |
| 5 | 5s | 1.749771 | 3.01989127 |
| 6 | 5s | 14.920768 | -.00699892 |
| 7 | 4s | 17.884130 | -.00282776 |
| 8 | 5s | 73.981965 | -.00001957 |
| ORB.ENERGY,a.u. | -1.539600 | ||
| NORM | .999999 | < R > | 3.913820 | < R2 > | 17.141605 | < 1/R > | .367742 | < 1/R**2 > | 1.368259 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.566808 | 1.14851158 |
| 2 | 3p | 6.340039 | -.22631787 |
| 3 | 2p | 12.185410 | .07335404 |
| 4 | 4p | 14.194797 | .01589583 |
| 5 | 5p | 16.097430 | -.00125480 |
| 6 | 4p | 4.961470 | -.00222758 |
| 7 | 4p | 64.736976 | .00002236 |
| ORB.ENERGY,a.u. | -13.519000 | ||
| NORM | 1.000000 | < R > | .404780 | < R2 > | .200650 | < 1/R > | 3.165657 | < 1/R**2 > | 13.772541 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.910866 | .34846862 |
| 2 | 2s | 5.751342 | -.82113718 |
| 3 | 3s | 8.936277 | -.21271943 |
| 4 | 4s | 7.378401 | -.04130279 |
| 5 | 5s | 18.533927 | -.00886272 |
| 6 | 5s | 1.449044 | -.04662503 |
| 7 | 4s | 1.191832 | .07759723 |
| 8 | 3s | 59.586843 | -.00011017 |
| 9 | 4s | 99.666878 | .00002637 |
| 10 | 3s | .878784 | -.03434710 |
| 11 | 5s | .853471 | .00275049 |
| ORB.ENERGY,a.u. | -14.092000 | ||
| NORM | 1.000000 | < R > | .452525 | < R2 > | .241096 | < 1/R > | 3.232971 | < 1/R**2 > | 42.712824 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.164945 | .91818318 |
| 2 | 1s | 21.938538 | .07885941 |
| 3 | 2s | 8.882322 | .02110665 |
| 4 | 3s | 10.890365 | -.02212169 |
| 5 | 4s | 13.599979 | .00949656 |
| 6 | 4s | .922163 | -.00125135 |
| 7 | 5s | 38.754622 | .00072378 |
| 8 | 3s | 59.632801 | -.00007797 |
| 9 | 5s | 1.129575 | .00136393 |
| ORB.ENERGY,a.u. | -97.764000 |
| NORM | 1.000000 | < R > | .096882 | < R2 > | .012600 | < 1/R > | 15.593511 | < 1/R**2 > | 490.119727 |
Total Energy= -366.79481526 a.u.
Kinetic Energy= 366.79903631 a.u.
Potential Energy= -733.59385157 a.u.
Virial Ratio = -1.99998849