(1s 2 2s 2 2p 2 5p 1 ) 4 D Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4251.
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 | 2p | 2.325240 | .15699095 |
| 2 | 3p | 1.302106 | -1.32174905 |
| 3 | 4p | .883629 | 5.04231005 |
| 4 | 5p | .878582 | -4.62149383 |
| 5 | 2p | 4.874528 | .07521519 |
| 6 | 5p | 5.377558 | .00772332 |
| 7 | 3p | 9.449193 | -.00322059 |
| 8 | 3p | .358727 | -.00096132 |
| ORB.ENERGY,a.u. | -.373280 | ||
| NORM | .999999 | < R > | 7.822233 | < R2 > | 68.762521 | < 1/R > | .182103 | < 1/R**2 > | .121265 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.240314 | .79986256 |
| 2 | 2p | 5.183772 | .21431567 |
| 3 | 2p | 10.928471 | .01091930 |
| 4 | 3p | 2.347526 | .01312544 |
| 5 | 4p | 3.237361 | -.01051104 |
| 6 | 5p | 21.817998 | -.00034871 |
| 7 | 5p | 2.232920 | -.00153113 |
| 8 | 4p | 11.734745 | .00148214 |
| ORB.ENERGY,a.u. | -4.445200 | ||
| NORM | 1.000000 | < R > | .700037 | < R2 > | .600739 | < 1/R > | 1.833879 | < 1/R**2 > | 4.639126 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.193925 | .35149166 |
| 2 | 2s | 3.936795 | -.84132360 |
| 3 | 3s | 3.661994 | -.27820969 |
| 4 | 4s | 11.570710 | .01334306 |
| 5 | 3s | 13.058575 | .01019648 |
| 6 | 5s | 3.490321 | -.01506477 |
| 7 | 5s | 37.429909 | -.00024129 |
| 8 | 4s | 2.752478 | .00490524 |
| 9 | 4s | 55.448041 | -.00006000 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767259 | < R2 > | .694070 | < 1/R > | 1.885556 | < 1/R**2 > | 14.475590 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.708894 | .61344212 |
| 2 | 1s | 13.271481 | .30152225 |
| 3 | 1s | 5.769784 | .00695953 |
| 4 | 2s | 10.364937 | .13445691 |
| 5 | 3s | 10.772091 | -.04344548 |
| 6 | 4s | 18.423102 | .00288103 |
| 7 | 5s | 60.915341 | -.00004020 |
| 8 | 5s | 5.822797 | .00026332 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .157000 | < R2 > | .033129 | < 1/R > | 9.640995 | < 1/R**2 > | 187.870836 |
Total Energy= -120.91221663 a.u.
Kinetic Energy= 120.91679778 a.u.
Potential Energy= -241.82901441 a.u.
Virial Ratio = -1.99996211