(1s 2 2s 1 5p 1 ) 1 P Ne 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
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 | 1.328850 | 2.73686338 |
| 2 | 3p | 1.739414 | -5.54743539 |
| 3 | 4p | 1.420599 | 8.62605558 |
| 4 | 5p | 1.418403 | -6.73591430 |
| 5 | 2p | 4.970793 | .07227080 |
| 6 | 3p | 6.813799 | -.02115874 |
| 7 | 5p | 13.113560 | .00201860 |
| ORB.ENERGY,a.u. | -1.011900 | ||
| NORM | 1.000004 | < R > | 5.048593 | < R2 > | 28.701215 | < 1/R > | .290332 | < 1/R**2 > | .297839 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.086835 | .40578531 |
| 2 | 2s | 4.164402 | -.87558653 |
| 3 | 3s | 4.850093 | -.25646104 |
| 4 | 4s | 11.630441 | .02332494 |
| 5 | 3s | 13.448507 | .00928134 |
| 6 | 5s | 6.964950 | -.00876912 |
| 7 | 5s | 24.149502 | .00070176 |
| 8 | 4s | 3.640120 | -.00630427 |
| 9 | 3s | .664285 | .00011386 |
| ORB.ENERGY,a.u. | -8.501400 | ||
| NORM | 1.000000 | < R > | .688668 | < R2 > | .553099 | < 1/R > | 2.121232 | < 1/R**2 > | 18.165791 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.192430 | .87452142 |
| 2 | 1s | 13.464705 | .12478720 |
| 3 | 2s | 6.462595 | .02655199 |
| 4 | 3s | 8.114600 | -.02887092 |
| 5 | 4s | 18.338603 | .00360905 |
| 6 | 5s | 10.830489 | .00377653 |
| 7 | 5s | 66.436516 | -.00002076 |
| ORB.ENERGY,a.u. | -40.403000 |
| NORM | 1.000000 | < R > | .156156 | < R2 > | .032703 | < 1/R > | 9.675332 | < 1/R**2 > | 188.926304 |
Total Energy= -103.64725824 a.u.
Kinetic Energy= 103.64272486 a.u.
Potential Energy= -207.28998310 a.u.
Virial Ratio = -2.00004374