(1s 2 2s 2 2p 4 3d 1 ) 2 P Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2132.
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 | .663812 | .99739773 |
| 2 | 5d | 7.795152 | -.00018940 |
| 3 | 3d | 3.590256 | .00686217 |
| 4 | 4d | 2.514290 | .00524763 |
| ORB.ENERGY,a.u. | -.221040 | ||
| NORM | 1.000000 | < R > | 5.256861 | < R2 > | 31.637017 | < 1/R > | .222901 | < 1/R**2 > | .060313 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.647410 | .67064025 |
| 2 | 2p | 4.493019 | .37267304 |
| 3 | 2p | 11.053040 | .01102788 |
| 4 | 3p | 1.920560 | .03500066 |
| 5 | 4p | 6.580882 | -.02926834 |
| 6 | 4p | 1.877635 | -.00851329 |
| 7 | 5p | 22.995918 | -.00017223 |
| ORB.ENERGY,a.u. | -1.964200 | ||
| NORM | 1.000000 | < R > | .804503 | < R2 > | .812401 | < 1/R > | 1.638806 | < 1/R**2 > | 3.811231 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.313679 | .31816207 |
| 2 | 2s | 3.749656 | -.81996595 |
| 3 | 3s | 3.039502 | -.30537369 |
| 4 | 4s | 13.088013 | .01372903 |
| 5 | 3s | 16.990527 | .00260562 |
| 6 | 5s | 25.745677 | .00052334 |
| 7 | 5s | 1.970870 | -.00724030 |
| 8 | 3s | 1.530393 | .00997690 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828412 | < R2 > | .818924 | < 1/R > | 1.746429 | < 1/R**2 > | 12.534940 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241299 | .89788549 |
| 2 | 1s | 13.941064 | .09919571 |
| 3 | 1s | 8.353288 | .00029432 |
| 4 | 2s | 6.907098 | .01558884 |
| 5 | 3s | 10.763723 | -.00731931 |
| 6 | 4s | 18.609812 | .00283491 |
| 7 | 5s | 61.065915 | -.00003577 |
| 8 | 5s | 5.215334 | .00052365 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157455 | < R2 > | .033372 | < 1/R > | 9.624139 | < 1/R**2 > | 187.372582 |
Total Energy= -126.59922809 a.u.
Kinetic Energy= 126.59314711 a.u.
Potential Energy= -253.19237520 a.u.
Virial Ratio = -2.00004804