(1s 2 2s 2 2p 3 4p 1 ) 5 P Na 3+
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 | 4.905274 | .16597121 |
| 2 | 3p | .883265 | 1.92546631 |
| 3 | 4p | 1.804953 | -1.27156842 |
| 4 | 5p | 3.363304 | -.15697478 |
| 5 | 3p | 8.788155 | -.00703164 |
| 6 | 5p | .852886 | -.28382951 |
| 7 | 4p | .550740 | .08769015 |
| 8 | 3p | .206760 | -.07192571 |
| 9 | 4p | 22.069710 | -.00014240 |
| 10 | 5p | .277466 | .05464090 |
| ORB.ENERGY,a.u. | -.625120 | ||
| NORM | 1.000001 | < R > | 4.594077 | < R2 > | 23.854199 | < 1/R > | .302498 | < 1/R**2 > | .268252 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.754785 | 1.50570285 |
| 2 | 3p | 4.876818 | -.65403769 |
| 3 | 4p | 6.076237 | .14153759 |
| 4 | 5p | 18.568979 | -.00331638 |
| 5 | 4p | 2.330458 | .01621028 |
| 6 | 4p | 24.411904 | -.00149554 |
| 7 | 5p | 2.319165 | -.00824561 |
| 8 | 3p | 33.555766 | -.00013587 |
| ORB.ENERGY,a.u. | -4.774000 | ||
| NORM | 1.000000 | < R > | .645134 | < R2 > | .512427 | < 1/R > | 1.999375 | < 1/R**2 > | 5.540797 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.004749 | .35036370 |
| 2 | 2s | 4.340254 | -.83478479 |
| 3 | 3s | 3.948775 | -.27998269 |
| 4 | 4s | 17.674083 | .00261417 |
| 5 | 3s | 10.797814 | .01752286 |
| 6 | 5s | 4.091083 | -.01880440 |
| 7 | 4s | .913444 | .00013954 |
| ORB.ENERGY,a.u. | -4.555500 | ||
| NORM | 1.000000 | < R > | .704001 | < R2 > | .585936 | < 1/R > | 2.059316 | < 1/R**2 > | 17.338866 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.165172 | .90296705 |
| 2 | 1s | 15.521552 | .09697311 |
| 3 | 2s | 8.932279 | .01719363 |
| 4 | 3s | 12.700028 | -.01503446 |
| 5 | 4s | 20.240128 | .00391694 |
| 6 | 5s | 39.911731 | .00009154 |
| 7 | 5s | 7.557903 | .00087204 |
| ORB.ENERGY,a.u. | -42.494000 |
| NORM | 1.000000 | < R > | .142460 | < R2 > | .027285 | < 1/R > | 10.625001 | < 1/R**2 > | 228.104814 |
Total Energy= -154.47139973 a.u.
Kinetic Energy= 154.48028472 a.u.
Potential Energy= -308.95168445 a.u.
Virial Ratio = -1.99994248