(1s 2 2s 2 2p 6 3s 2 3p 3 4p 1 ) 5 P S 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5141.
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 | 4p- electron | |
| 1 | 2p | .122120 | .05777170 |
| 2 | 5p | .830621 | .18429549 |
| 3 | 4p | 3.161518 | -.11547799 |
| 4 | 2p | 6.615518 | .04866353 |
| 5 | 5p | 2.235638 | -.09869704 |
| 6 | 3p | 9.625166 | -.00744478 |
| 7 | 4p | .371580 | -.24877766 |
| 8 | 3p | .394766 | 1.03053325 |
| 9 | 5p | 19.926353 | .00029866 |
| 10 | 5p | .186232 | -.03002186 |
| ORB.ENERGY,a.u. | -.087128 | ||
| NORM | 1.000000 | < R > | 7.949764 | < R2 > | 71.558596 | < 1/R > | .152196 | < 1/R**2 > | .052097 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 5p | 2.370050 | -.18729255 |
| 2 | 4p | 3.079482 | -.32738590 |
| 3 | 3p | 19.433303 | -.00149760 |
| 4 | 2p | 6.037020 | .35644301 |
| 5 | 2p | 1.279344 | -.55171131 |
| 6 | 3p | 7.919767 | -.07709023 |
| 7 | 5p | 7.361010 | .01870094 |
| 8 | 4p | 15.627338 | -.00318641 |
| 9 | 4p | .502325 | -.00099888 |
| 10 | 5p | 36.449496 | -.00006613 |
| ORB.ENERGY,a.u. | -.331140 | ||
| NORM | 1.000000 | < R > | 1.883155 | < R2 > | 4.143134 | < 1/R > | .704197 | < 1/R**2 > | 1.091631 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.055817 | .55892920 |
| 2 | 1s | 12.589230 | .10229937 |
| 3 | 2s | 4.757237 | -.49770841 |
| 4 | 3s | 2.186555 | .54660170 |
| 5 | 4s | 3.809489 | .10166733 |
| 6 | 2s | 7.743371 | -.10047945 |
| 7 | 4s | 24.477812 | .00091688 |
| 8 | 2s | 24.295369 | -.00047549 |
| 9 | 5s | 1.459502 | -.02929497 |
| ORB.ENERGY,a.u. | -.897360 | ||
| NORM | 1.000000 | < R > | 1.660753 | < R2 > | 3.180425 | < 1/R > | .812718 | < 1/R**2 > | 3.787274 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 8.946407 | .44313438 |
| 2 | 3p | 6.916233 | .50877798 |
| 3 | 4p | 5.544189 | .15038826 |
| 4 | 5p | 4.020623 | .00651533 |
| 5 | 2p | 21.378338 | .00243154 |
| 6 | 3p | 49.804204 | .00002855 |
| 7 | 4p | 1.759670 | .00021814 |
| 8 | 5p | 60.845633 | .00001809 |
| ORB.ENERGY,a.u. | -6.523900 | ||
| NORM | 1.000000 | < R > | .440832 | < R2 > | .241783 | < 1/R > | 2.955321 | < 1/R**2 > | 12.208595 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.924475 | .37009880 |
| 2 | 2s | 6.883665 | -.73720746 |
| 3 | 3s | 6.023967 | -.38884732 |
| 4 | 4s | 4.884002 | -.02957174 |
| 5 | 3s | 15.818699 | .00936542 |
| 6 | 4s | 26.703473 | .00176271 |
| 7 | 5s | 2.589440 | -.00051323 |
| ORB.ENERGY,a.u. | -8.792300 | ||
| NORM | 1.000000 | < R > | .475553 | < R2 > | .268245 | < 1/R > | 3.074519 | < 1/R**2 > | 38.930167 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.563569 | 1.01357555 |
| 2 | 2s | 18.224848 | -.01501455 |
| 3 | 3s | 14.022659 | .01729044 |
| 4 | 4s | 62.613100 | -.00035956 |
| 5 | 4s | 6.672260 | .00185232 |
| 6 | 5s | 82.266394 | .00011291 |
| 7 | 5s | 7.109727 | -.00118479 |
| 8 | 2s | 23.677747 | -.00960519 |
| 9 | 2s | 211.756625 | .00000080 |
| 10 | 3s | 1.593658 | -.00001054 |
| ORB.ENERGY,a.u. | -91.231000 |
| NORM | 1.000000 | < R > | .097148 | < R2 > | .012686 | < 1/R > | 15.566689 | < 1/R**2 > | 488.818015 |
Total Energy= -397.25765172 a.u.
Kinetic Energy= 397.26031329 a.u.
Potential Energy= -794.51796501 a.u.
Virial Ratio = -1.99999330