(1s 2 2s 2 2p 4 3d 1 ) 4 P Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4132.
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 | .679310 | .96995870 |
| 2 | 3d | 3.037823 | .01937283 |
| 3 | 4d | 1.994662 | .01367085 |
| 4 | 5d | 5.079538 | -.00157348 |
| 5 | 5d | .712168 | .02362286 |
| 6 | 4d | 19.053063 | .00001685 |
| ORB.ENERGY,a.u. | -.223440 | ||
| NORM | 1.000000 | < R > | 5.151010 | < R2 > | 30.505964 | < 1/R > | .229317 | < 1/R**2 > | .064893 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.637684 | .66371732 |
| 2 | 2p | 4.468890 | .38012401 |
| 3 | 2p | 11.039064 | .01115972 |
| 4 | 3p | 1.976925 | .03459839 |
| 5 | 4p | 6.571016 | -.03025666 |
| 6 | 4p | 2.075895 | -.00718625 |
| 7 | 5p | 23.001430 | -.00017190 |
| ORB.ENERGY,a.u. | -1.966600 | ||
| NORM | 1.000000 | < R > | .804993 | < R2 > | .813759 | < 1/R > | 1.638280 | < 1/R**2 > | 3.809435 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.313506 | .31817682 |
| 2 | 2s | 3.748571 | -.82064690 |
| 3 | 3s | 3.037440 | -.30477449 |
| 4 | 4s | 13.078243 | .01371230 |
| 5 | 3s | 16.928908 | .00263727 |
| 6 | 5s | 25.729367 | .00052009 |
| 7 | 5s | 1.969258 | -.00744767 |
| 8 | 3s | 1.528789 | .01022759 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828427 | < R2 > | .818981 | < 1/R > | 1.746440 | < 1/R**2 > | 12.535258 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241274 | .89787068 |
| 2 | 1s | 13.938204 | .09930497 |
| 3 | 1s | 6.828166 | .00020265 |
| 4 | 2s | 6.914501 | .01555735 |
| 5 | 3s | 10.764187 | -.00729258 |
| 6 | 4s | 18.627155 | .00282975 |
| 7 | 5s | 60.799931 | -.00003585 |
| 8 | 5s | 5.241925 | .00053121 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157454 | < R2 > | .033371 | < 1/R > | 9.624168 | < 1/R**2 > | 187.373474 |
Total Energy= -126.59967075 a.u.
Kinetic Energy= 126.59555611 a.u.
Potential Energy= -253.19522686 a.u.
Virial Ratio = -2.00003250