(1s 2 2s 2 2p 5 3d 1 ) 3 F Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3332.
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 | .340750 | .96840767 |
| 2 | 5d | 1.558511 | .00318451 |
| 3 | 3d | 3.544281 | .00161846 |
| 4 | 4d | 2.474759 | .00368795 |
| 5 | 5d | .366234 | .03561992 |
| ORB.ENERGY,a.u. | -.055866 | ||
| NORM | 1.000000 | < R > | 10.403722 | < R2 > | 123.916776 | < 1/R > | .112547 | < 1/R**2 > | .015341 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.763926 | .13797993 |
| 2 | 2p | 2.569692 | .58267760 |
| 3 | 2p | 4.463514 | .30068759 |
| 4 | 2p | 10.418332 | .01890930 |
| 5 | 4p | 2.305143 | .03586252 |
| 6 | 4p | 10.164477 | .01573155 |
| 7 | 3p | 1.772518 | -.01605863 |
| 8 | 3p | 13.034896 | .00392368 |
| ORB.ENERGY,a.u. | -1.269900 | ||
| NORM | 1.000000 | < R > | .875946 | < R2 > | .982236 | < 1/R > | 1.536838 | < 1/R**2 > | 3.420024 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.486979 | .29771291 |
| 2 | 2s | 3.739294 | -.78204549 |
| 3 | 3s | 2.890882 | -.34439748 |
| 4 | 4s | 13.020207 | .01819012 |
| 5 | 3s | 20.975892 | .00435053 |
| 6 | 5s | 1.920850 | -.02086433 |
| 7 | 5s | 22.541741 | .00226481 |
| 8 | 4s | 1.574009 | .02760439 |
| 9 | 3s | 1.203338 | -.00863763 |
| 10 | 2s | 36.788547 | .00022653 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860286 | < R2 > | .890304 | < 1/R > | 1.685611 | < 1/R**2 > | 11.736334 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.243223 | .92166662 |
| 2 | 1s | 14.455656 | .08157400 |
| 3 | 2s | 5.578025 | .00867537 |
| 4 | 3s | 13.467714 | -.00700995 |
| 5 | 4s | 19.906105 | .00352458 |
| 6 | 5s | 29.515231 | -.00008985 |
| 7 | 5s | 3.699484 | .00024136 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033435 | < 1/R > | 9.620056 | < 1/R**2 > | 187.253940 |
Total Energy= -127.87436203 a.u.
Kinetic Energy= 127.87369348 a.u.
Potential Energy= -255.74805552 a.u.
Virial Ratio = -2.00000523