(1s 2 2s 2 2p 1 5d 1 ) 3 F Ne 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3352.
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 | 5d- electron | |
| 1 | 3d | 1.330476 | 1.30814985 |
| 2 | 4d | 1.131290 | -3.52887750 |
| 3 | 5d | .995857 | 2.93427690 |
| 4 | 3d | 3.878553 | .04491605 |
| 5 | 4d | .764883 | -.08742186 |
| 6 | 5d | 3.503770 | .02489514 |
| 7 | 4d | 10.436645 | -.00042118 |
| ORB.ENERGY,a.u. | -.519920 | ||
| NORM | 1.000005 | < R > | 6.604900 | < R2 > | 49.572220 | < 1/R > | .212885 | < 1/R**2 > | .097340 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.651983 | .72863329 |
| 2 | 2p | 4.807868 | .25334505 |
| 3 | 2p | 11.714342 | .00718924 |
| 4 | 3p | 5.780378 | -.02833291 |
| 5 | 4p | 4.115263 | .06318284 |
| 6 | 4p | 17.623647 | -.00064991 |
| 7 | 5p | 1.930057 | -.01008628 |
| 8 | 3p | 1.401023 | .01210121 |
| ORB.ENERGY,a.u. | -5.585200 | ||
| NORM | 1.000000 | < R > | .663252 | < R2 > | .535572 | < 1/R > | 1.920397 | < 1/R**2 > | 5.041871 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.869545 | .32486052 |
| 2 | 2s | 3.388702 | -.79195281 |
| 3 | 3s | 5.256602 | -.27267782 |
| 4 | 4s | 16.728109 | .00344468 |
| 5 | 5s | 10.461258 | -.01158730 |
| 6 | 5s | 3.575598 | .01853183 |
| 7 | 4s | 30.394677 | .00016518 |
| 8 | 4s | 2.677722 | -.00320707 |
| ORB.ENERGY,a.u. | -6.198000 | ||
| NORM | 1.000000 | < R > | .738895 | < R2 > | .640916 | < 1/R > | 1.961181 | < 1/R**2 > | 15.585770 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.623273 | .00042190 |
| 2 | 1s | 9.271313 | .89165941 |
| 3 | 1s | 13.710384 | .10450023 |
| 4 | 2s | 7.491923 | .01480396 |
| 5 | 3s | 10.868403 | -.00733729 |
| 6 | 4s | 18.680107 | .00417527 |
| 7 | 5s | 10.283539 | -.00183683 |
| 8 | 5s | 37.010959 | .00007763 |
| ORB.ENERGY,a.u. | -38.512000 |
| NORM | 1.000000 | < R > | .156626 | < R2 > | .032935 | < 1/R > | 9.655388 | < 1/R**2 > | 188.301575 |
Total Energy= -116.42609050 a.u.
Kinetic Energy= 116.43077292 a.u.
Potential Energy= -232.85686343 a.u.
Virial Ratio = -1.99995978