(1s 2 2s 2 2p 1 3d 1 ) 1 F Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1332.
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 | 3d- electron | |
| 1 | 3d | 1.680733 | .97698661 |
| 2 | 3d | 4.889003 | .01380053 |
| 3 | 5d | 8.967260 | .00026926 |
| 4 | 4d | 1.477199 | .02493049 |
| 5 | 5d | 1.439999 | -.00598848 |
| 6 | 4d | 24.755368 | .00002752 |
| ORB.ENERGY,a.u. | -1.389500 | ||
| NORM | 1.000000 | < R > | 2.084412 | < R2 > | 4.979911 | < 1/R > | .562809 | < 1/R**2 > | .384158 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.606226 | .87802806 |
| 2 | 2p | 5.666643 | .12826793 |
| 3 | 2p | 11.437404 | .00819657 |
| 4 | 3p | 2.069009 | -.00699159 |
| 5 | 4p | 3.608920 | .01000579 |
| 6 | 4p | 18.095013 | -.00065432 |
| ORB.ENERGY,a.u. | -5.122600 | ||
| NORM | 1.000000 | < R > | .656909 | < R2 > | .524046 | < 1/R > | 1.934541 | < 1/R**2 > | 5.106030 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.875989 | .32360810 |
| 2 | 2s | 3.380418 | -.79018102 |
| 3 | 3s | 5.267855 | -.27160151 |
| 4 | 4s | 16.931135 | .00333354 |
| 5 | 5s | 10.384110 | -.01177977 |
| 6 | 5s | 3.613197 | .01521777 |
| 7 | 4s | 31.254121 | .00014037 |
| 8 | 4s | 2.730044 | -.00398586 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .741292 | < R2 > | .645737 | < 1/R > | 1.955542 | < 1/R**2 > | 15.505291 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.605409 | .00042107 |
| 2 | 1s | 9.271347 | .89164904 |
| 3 | 1s | 13.710491 | .10448933 |
| 4 | 2s | 7.483185 | .01484446 |
| 5 | 3s | 10.870140 | -.00733398 |
| 6 | 4s | 18.673736 | .00417523 |
| 7 | 5s | 10.270572 | -.00183995 |
| 8 | 5s | 36.983207 | .00007811 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156632 | < R2 > | .032938 | < 1/R > | 9.655137 | < 1/R**2 > | 188.294139 |
Total Energy= -117.35355367 a.u.
Kinetic Energy= 117.30037493 a.u.
Potential Energy= -234.65392859 a.u.
Virial Ratio = -2.00045336