(1s 2 2s 2 2p 5 5s 1 ) 3 P Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 5s- electron | |
| 1 | 1s | 8.699660 | .01477608 |
| 2 | 2s | 2.827909 | -.06428024 |
| 3 | 3s | .861569 | .29029484 |
| 4 | 4s | .402999 | -1.72141046 |
| 5 | 5s | .284352 | .85085210 |
| 6 | 5s | 2.934457 | -.01565103 |
| 7 | 4s | 7.857307 | -.00368338 |
| 8 | 3s | .242761 | 1.15589337 |
| 9 | 3s | 1.879445 | .03524458 |
| ORB.ENERGY,a.u. | -.036329 | ||
| NORM | 1.000001 | < R > | 20.703203 | < R2 > | 482.152200 | < 1/R > | .066795 | < 1/R**2 > | .037478 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.687335 | .13315124 |
| 2 | 2p | 2.559493 | .59651695 |
| 3 | 2p | 4.501185 | .30258929 |
| 4 | 2p | 10.242124 | .01864621 |
| 5 | 4p | 2.265530 | .03119848 |
| 6 | 4p | 10.398922 | .01308552 |
| 7 | 3p | 1.637760 | -.01921683 |
| 8 | 3p | 14.054206 | .00231771 |
| ORB.ENERGY,a.u. | -1.360800 | ||
| NORM | 1.000000 | < R > | .876148 | < R2 > | .982796 | < 1/R > | 1.536615 | < 1/R**2 > | 3.419234 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.522687 | .29583538 |
| 2 | 2s | 3.747031 | -.77713064 |
| 3 | 3s | 2.917198 | -.34509898 |
| 4 | 4s | 13.063309 | .01947123 |
| 5 | 3s | 22.064820 | .00451265 |
| 6 | 5s | .285394 | -.00166189 |
| 7 | 5s | 22.987493 | .00285513 |
| 8 | 4s | 2.065859 | -.00616675 |
| 9 | 3s | .261382 | .00121209 |
| 10 | 2s | 38.756439 | .00024625 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860365 | < R2 > | .890880 | < 1/R > | 1.685549 | < 1/R**2 > | 11.735741 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.242631 | .92188556 |
| 2 | 1s | 14.463802 | .08143884 |
| 3 | 2s | 5.587116 | .00868054 |
| 4 | 3s | 13.440741 | -.00715769 |
| 5 | 4s | 19.922372 | .00358181 |
| 6 | 5s | 29.361873 | -.00011646 |
| 7 | 5s | 3.716852 | .00024900 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157570 | < R2 > | .033435 | < 1/R > | 9.620063 | < 1/R**2 > | 187.254109 |
Total Energy= -127.85396969 a.u.
Kinetic Energy= 127.85411495 a.u.
Potential Energy= -255.70808464 a.u.
Virial Ratio = -1.99999886