(1s 2 2s 2 4s 1 ) 2 S Ne 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 8.223089 | .10611829 |
| 2 | 2s | 2.159657 | -1.12884860 |
| 3 | 3s | 1.850223 | 2.97886215 |
| 4 | 4s | 1.632470 | -2.61486073 |
| 5 | 5s | 3.687751 | .10666266 |
| 6 | 4s | 7.563819 | -.03209574 |
| 7 | 5s | 22.516159 | .00030007 |
| ORB.ENERGY,a.u. | -1.314700 | ||
| NORM | 1.000002 | < R > | 3.441340 | < R2 > | 13.295002 | < 1/R > | .415562 | < 1/R**2 > | 1.351648 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.589630 | .35460580 |
| 2 | 2s | 3.814622 | -.76923749 |
| 3 | 3s | 5.153375 | -.30186182 |
| 4 | 4s | 13.551836 | .00908979 |
| 5 | 5s | 4.767632 | -.02589945 |
| 6 | 3s | 13.842416 | .00544591 |
| 7 | 5s | 1.873330 | .00048942 |
| 8 | 4s | 43.153628 | -.00004799 |
| ORB.ENERGY,a.u. | -7.110300 | ||
| NORM | 1.000000 | < R > | .712514 | < R2 > | .593914 | < 1/R > | 2.038669 | < 1/R**2 > | 16.760723 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.287289 | .88733999 |
| 2 | 1s | 13.568315 | .10829022 |
| 3 | 2s | 7.634750 | .01479430 |
| 4 | 3s | 8.729317 | -.00851415 |
| 5 | 4s | 19.083177 | .00382878 |
| 6 | 5s | 17.134089 | -.00004085 |
| ORB.ENERGY,a.u. | -39.984000 |
| NORM | 1.000000 | < R > | .156188 | < R2 > | .032710 | < 1/R > | 9.672453 | < 1/R**2 > | 188.813875 |
Total Energy= -111.42470464 a.u.
Kinetic Energy= 111.42472127 a.u.
Potential Energy= -222.84942590 a.u.
Virial Ratio = -1.99999985