(1s 2 2s 2 2p 2 5p 1 ) 4 P Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4151.
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 | 2.199892 | .15522936 |
| 2 | 3p | 1.285495 | -1.36402422 |
| 3 | 4p | .881669 | 5.07551812 |
| 4 | 5p | .874638 | -4.61775795 |
| 5 | 2p | 4.791067 | .08118855 |
| 6 | 5p | 5.239044 | .00965474 |
| 7 | 3p | 9.433625 | -.00328650 |
| ORB.ENERGY,a.u. | -.371100 | ||
| NORM | .999994 | < R > | 7.864515 | < R2 > | 69.515022 | < 1/R > | .181057 | < 1/R**2 > | .119623 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.239835 | .82957778 |
| 2 | 2p | 5.363649 | .19843819 |
| 3 | 2p | 11.417425 | .00823429 |
| 4 | 3p | 1.507245 | .01322116 |
| 5 | 4p | 3.688809 | -.01502270 |
| 6 | 5p | 23.635698 | -.00026758 |
| 7 | 5p | 1.951335 | -.00913255 |
| 8 | 4p | 95.821716 | .00000189 |
| ORB.ENERGY,a.u. | -4.443000 | ||
| NORM | 1.000000 | < R > | .699961 | < R2 > | .600612 | < 1/R > | 1.834073 | < 1/R**2 > | 4.640048 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.193725 | .35150609 |
| 2 | 2s | 3.937552 | -.84114715 |
| 3 | 3s | 3.663998 | -.27815975 |
| 4 | 4s | 11.561145 | .01354685 |
| 5 | 3s | 13.129325 | .01012316 |
| 6 | 5s | 3.507862 | -.01499240 |
| 7 | 5s | 36.945646 | -.00025711 |
| 8 | 4s | 2.749270 | .00445142 |
| 9 | 4s | 54.654377 | -.00006494 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .767257 | < R2 > | .694065 | < 1/R > | 1.885562 | < 1/R**2 > | 14.475685 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.709068 | .61344724 |
| 2 | 1s | 13.271754 | .30150983 |
| 3 | 1s | 5.732922 | .00699326 |
| 4 | 2s | 10.365488 | .13445339 |
| 5 | 3s | 10.767967 | -.04344368 |
| 6 | 4s | 18.418568 | .00286125 |
| 7 | 5s | 60.798616 | -.00004093 |
| 8 | 5s | 5.759387 | .00025011 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .157000 | < R2 > | .033129 | < 1/R > | 9.640991 | < 1/R**2 > | 187.870725 |
Total Energy= -120.91225126 a.u.
Kinetic Energy= 120.91460240 a.u.
Potential Energy= -241.82685366 a.u.
Virial Ratio = -1.99998056