(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 1 D P +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 5p | 1.812876 | -.10014508 |
| 2 | 4p | .765216 | 1.06752141 |
| 3 | 5p | .538584 | -1.42403311 |
| 4 | 3p | 2.033490 | -.11161820 |
| 5 | 2p | 9.694516 | .00533040 |
| 6 | 2p | 4.588020 | .02844520 |
| 7 | 4p | 12.477023 | .00078104 |
| ORB.ENERGY,a.u. | -.130170 | ||
| NORM | 1.000003 | < R > | 11.163205 | < R2 > | 138.958240 | < 1/R > | .110162 | < 1/R**2 > | .024196 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.709195 | .31372984 |
| 2 | 2p | 1.509952 | -.69553370 |
| 3 | 3p | 1.712037 | -.44783495 |
| 4 | 2p | 7.720754 | .12338534 |
| 5 | 3p | 14.240185 | -.00395826 |
| 6 | 4p | .457805 | -.11028508 |
| 7 | 5p | 8.450221 | .01321348 |
| 8 | 5p | .940186 | .08053013 |
| 9 | 3p | .263476 | .00553472 |
| ORB.ENERGY,a.u. | -.704340 | ||
| NORM | 1.000000 | < R > | 1.987149 | < R2 > | 4.999561 | < 1/R > | .674798 | < 1/R**2 > | 1.006275 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.601285 | -.16950910 |
| 2 | 1s | 10.715941 | .17833160 |
| 3 | 1s | 43.449613 | .00020538 |
| 4 | 2s | 4.707660 | -.27880788 |
| 5 | 3s | 1.985079 | .88544867 |
| 6 | 4s | 3.401089 | .18115956 |
| 7 | 3s | 29.649233 | -.00063072 |
| 8 | 5s | 1.776547 | .02406632 |
| 9 | 4s | .515015 | -.00016870 |
| ORB.ENERGY,a.u. | -1.069600 | ||
| NORM | 1.000000 | < R > | 1.770520 | < R2 > | 3.587347 | < 1/R > | .757138 | < 1/R**2 > | 3.261295 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.924828 | .47478114 |
| 2 | 3p | 6.070935 | .49863352 |
| 3 | 4p | 4.808624 | .12607263 |
| 4 | 5p | 3.132966 | .00312389 |
| 5 | 2p | 15.364443 | .00812459 |
| 6 | 4p | 26.421337 | -.00068410 |
| 7 | 3p | 32.748503 | -.00008225 |
| 8 | 3p | .918897 | .00006609 |
| ORB.ENERGY,a.u. | -5.700400 | ||
| NORM | 1.000000 | < R > | .482966 | < R2 > | .291209 | < 1/R > | 2.708206 | < 1/R**2 > | 10.296859 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.195097 | .36021302 |
| 2 | 2s | 5.445789 | -.77637866 |
| 3 | 3s | 4.879613 | -.17107837 |
| 4 | 5s | 24.132528 | .00152741 |
| 5 | 2s | 6.753834 | -.17542655 |
| 6 | 3s | 15.542580 | .00746569 |
| 7 | 4s | 3.769042 | -.00390468 |
| 8 | 4s | 28.498539 | .00133536 |
| 9 | 5s | 1.914798 | -.00004282 |
| ORB.ENERGY,a.u. | -7.776800 | ||
| NORM | 1.000000 | < R > | .514759 | < R2 > | .314660 | < 1/R > | 2.836325 | < 1/R**2 > | 33.155519 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.560811 | 1.01529281 |
| 2 | 2s | 19.686283 | -.02550358 |
| 3 | 3s | 11.156118 | .01966968 |
| 4 | 4s | 50.749737 | -.00002051 |
| 5 | 4s | 29.798830 | .00126852 |
| 6 | 2s | 59.778351 | .00003408 |
| 7 | 5s | 13.212818 | -.00537373 |
| 8 | 3s | 6.723007 | .00075505 |
| 9 | 4s | 1.825167 | -.00000345 |
| ORB.ENERGY,a.u. | -79.654000 |
| NORM | 1.000000 | < R > | .103795 | < R2 > | .014485 | < 1/R > | 14.574377 | < 1/R**2 > | 428.643491 |
Total Energy= -339.77723169 a.u.
Kinetic Energy= 339.77515492 a.u.
Potential Energy= -679.55238661 a.u.
Virial Ratio = -2.00000611