(1s 2 2s 2 2p 1 4d 1 ) 3 F Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3342.
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 | 4d- electron | |
| 1 | 3d | 1.566475 | 1.18610954 |
| 2 | 4d | 1.263968 | -1.64468866 |
| 3 | 3d | 4.182801 | .03975767 |
| 4 | 5d | 2.454151 | -.06585314 |
| 5 | 4d | 10.188579 | -.00056026 |
| 6 | 5d | 1.150623 | .01248518 |
| ORB.ENERGY,a.u. | -.819940 | ||
| NORM | 1.000001 | < R > | 3.958863 | < R2 > | 17.992505 | < 1/R > | .339109 | < 1/R**2 > | .194997 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.567625 | .89023381 |
| 2 | 2p | 5.924307 | .12408387 |
| 3 | 2p | 12.907688 | .00453863 |
| 4 | 3p | 2.260629 | -.02829418 |
| 5 | 4p | 2.868326 | .03247901 |
| 6 | 4p | 14.961367 | -.00100222 |
| 7 | 5p | 1.340984 | -.00056665 |
| ORB.ENERGY,a.u. | -5.465600 | ||
| NORM | 1.000000 | < R > | .664930 | < R2 > | .538574 | < 1/R > | 1.916663 | < 1/R**2 > | 5.025127 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.879625 | .32400897 |
| 2 | 2s | 3.373447 | -.79315749 |
| 3 | 3s | 5.265344 | -.27220335 |
| 4 | 4s | 16.595301 | .00322184 |
| 5 | 5s | 10.515827 | -.01225913 |
| 6 | 5s | 3.710158 | .01751347 |
| 7 | 4s | 28.639725 | .00019701 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .739614 | < R2 > | .642311 | < 1/R > | 1.959370 | < 1/R**2 > | 15.559095 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.269846 | .89191098 |
| 2 | 1s | 13.722135 | .10440030 |
| 3 | 1s | 2.345953 | .00012361 |
| 4 | 2s | 7.511123 | .01485991 |
| 5 | 3s | 9.788646 | -.00794287 |
| 6 | 4s | 18.103695 | .00341861 |
| 7 | 5s | 9.657497 | -.00043535 |
| 8 | 5s | 29.563151 | .00029923 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156624 | < R2 > | .032934 | < 1/R > | 9.655472 | < 1/R**2 > | 188.304290 |
Total Energy= -116.72048681 a.u.
Kinetic Energy= 116.73081098 a.u.
Potential Energy= -233.45129779 a.u.
Virial Ratio = -1.99991156