(1s 2 2s 2 3p 1 ) 2 P Na 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
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 | 3p- electron | |
| 1 | 2p | 3.290658 | .71565444 |
| 2 | 3p | 2.434771 | -1.39262437 |
| 3 | 2p | 7.428537 | .06873771 |
| 4 | 4p | 8.005906 | .02357536 |
| 5 | 5p | 14.006601 | .00246697 |
| 6 | 5p | 2.449007 | .01408094 |
| ORB.ENERGY,a.u. | -3.029500 | ||
| NORM | 1.000000 | < R > | 1.602330 | < R2 > | 2.953996 | < 1/R > | .867236 | < 1/R**2 > | 1.584856 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.474463 | .35940750 |
| 2 | 2s | 4.147047 | -.78722793 |
| 3 | 3s | 5.657348 | -.28169299 |
| 4 | 5s | 10.353610 | -.01681084 |
| 5 | 4s | 20.363488 | .00503559 |
| 6 | 5s | 28.394120 | -.00101181 |
| 7 | 4s | 2.512911 | -.00029455 |
| ORB.ENERGY,a.u. | -8.821200 | ||
| NORM | 1.000000 | < R > | .639935 | < R2 > | .479274 | < 1/R > | 2.276635 | < 1/R**2 > | 20.918132 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.345586 | .94550490 |
| 2 | 1s | 17.483983 | .05275991 |
| 3 | 2s | 10.711836 | .01988073 |
| 4 | 3s | 13.142741 | -.01558778 |
| 5 | 5s | 24.215742 | .00158549 |
| 6 | 4s | 57.270492 | -.00007919 |
| 7 | 5s | 3.797373 | -.00006434 |
| ORB.ENERGY,a.u. | -49.073000 |
| NORM | 1.000000 | < R > | .141539 | < R2 > | .026853 | < 1/R > | 10.668248 | < 1/R**2 > | 229.534634 |
Total Energy= -137.81664315 a.u.
Kinetic Energy= 137.81664102 a.u.
Potential Energy= -275.63328417 a.u.
Virial Ratio = -2.00000002