(1s 2 2s 2 2p 1 3d 1 ) 1 P Na 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1132.
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 | 3d- electron | |
| 1 | 3d | 1.985183 | 1.05580263 |
| 2 | 3d | 5.548773 | .01994176 |
| 3 | 4d | 2.026071 | -.05483190 |
| 4 | 5d | 3.001526 | -.01294648 |
| 5 | 4d | 13.094145 | -.00032621 |
| ORB.ENERGY,a.u. | -2.004900 | ||
| NORM | 1.000000 | < R > | 1.723941 | < R2 > | 3.412572 | < 1/R > | .682246 | < 1/R**2 > | .566484 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.140979 | 1.09958646 |
| 2 | 3p | 5.086747 | -.15198107 |
| 3 | 2p | 9.518308 | .03018411 |
| 4 | 5p | 13.043620 | .00832868 |
| 5 | 4p | 28.688385 | -.00012519 |
| 6 | 3p | 28.168468 | -.00002224 |
| 7 | 5p | 8.385174 | .01730339 |
| 8 | 3p | 3.725938 | .00548369 |
| 9 | 4p | 1.799663 | -.00016707 |
| ORB.ENERGY,a.u. | -6.855600 | ||
| NORM | 1.000000 | < R > | .580799 | < R2 > | .409728 | < 1/R > | 2.186204 | < 1/R**2 > | 6.507829 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.729597 | .33427285 |
| 2 | 2s | 3.794791 | -.79447597 |
| 3 | 3s | 5.849320 | -.27369705 |
| 4 | 4s | 20.856487 | .00159516 |
| 5 | 5s | 11.475660 | -.01554874 |
| 6 | 5s | 4.414723 | .01962290 |
| ORB.ENERGY,a.u. | -7.150900 | ||
| NORM | 1.000000 | < R > | .659769 | < R2 > | .510999 | < 1/R > | 2.204205 | < 1/R**2 > | 19.696266 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.213551 | .92137884 |
| 2 | 1s | 16.016515 | .08115127 |
| 3 | 2s | 9.096032 | .01624951 |
| 4 | 3s | 11.621140 | -.01584287 |
| 5 | 4s | 57.625055 | -.00006571 |
| 6 | 5s | 25.379584 | .00121146 |
| 7 | 4s | 6.045588 | .00016934 |
| ORB.ENERGY,a.u. | -46.135000 |
| NORM | 1.000000 | < R > | .141856 | < R2 > | .027001 | < 1/R > | 10.653291 | < 1/R**2 > | 229.039219 |
Total Energy= -144.52563568 a.u.
Kinetic Energy= 144.45117417 a.u.
Potential Energy= -288.97680985 a.u.
Virial Ratio = -2.00051548