(1s 2 2s 2 2p 2 3d 1 ) 4 F Ne 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4332.
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 | 1.419848 | .91140248 |
| 2 | 5d | 1.336638 | .00879967 |
| 3 | 3d | 3.771449 | .06220954 |
| 4 | 4d | 2.779143 | .06077830 |
| 5 | 5d | 11.974525 | -.00010449 |
| 6 | 4d | 27.420908 | .00001617 |
| ORB.ENERGY,a.u. | -.950430 | ||
| NORM | 1.000000 | < R > | 2.349874 | < R2 > | 6.422725 | < 1/R > | .509808 | < 1/R**2 > | .324654 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.289239 | .79860129 |
| 2 | 2p | 5.247334 | .19646520 |
| 3 | 2p | 9.998871 | .01352063 |
| 4 | 3p | 2.272799 | .03253813 |
| 5 | 4p | 1.961673 | -.00954516 |
| 6 | 5p | 19.080131 | -.00083314 |
| 7 | 5p | 1.926820 | .00369635 |
| 8 | 4p | 51.277975 | .00001720 |
| 9 | 3p | 16.391831 | -.00079254 |
| ORB.ENERGY,a.u. | -4.100100 | ||
| NORM | 1.000000 | < R > | .705889 | < R2 > | .612831 | < 1/R > | 1.823482 | < 1/R**2 > | 4.596182 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.209985 | .34977756 |
| 2 | 2s | 3.937655 | -.83555794 |
| 3 | 3s | 3.694067 | -.27570479 |
| 4 | 4s | 11.537255 | .00805508 |
| 5 | 3s | 11.639242 | .01466876 |
| 6 | 5s | 3.581722 | -.01973217 |
| 7 | 5s | 44.032379 | -.00008424 |
| 8 | 3s | .778886 | -.00005116 |
| 9 | 2s | 70.961077 | .00000617 |
| ORB.ENERGY,a.u. | -3.873300 | ||
| NORM | 1.000000 | < R > | .769256 | < R2 > | .698461 | < 1/R > | 1.881660 | < 1/R**2 > | 14.423050 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.710048 | .61348758 |
| 2 | 1s | 13.271615 | .30150238 |
| 3 | 1s | 5.729908 | .00693386 |
| 4 | 2s | 10.367502 | .13444264 |
| 5 | 3s | 10.764414 | -.04345657 |
| 6 | 4s | 18.399936 | .00288402 |
| 7 | 5s | 61.001440 | -.00004036 |
| 8 | 5s | 5.633357 | .00025918 |
| ORB.ENERGY,a.u. | -35.222000 |
| NORM | 1.000000 | < R > | .156981 | < R2 > | .033120 | < 1/R > | 9.641766 | < 1/R**2 > | 187.894529 |
Total Energy= -121.47071022 a.u.
Kinetic Energy= 121.49409325 a.u.
Potential Energy= -242.96480346 a.u.
Virial Ratio = -1.99980754