(1s 2 2s 2 2p 4 5d 1 ) 4 F Ne +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4352.
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 | .517816 | 1.48361913 |
| 2 | 4d | .429304 | -4.23457291 |
| 3 | 5d | .395357 | 3.53598275 |
| 4 | 3d | 2.150745 | .01800615 |
| 5 | 4d | .304946 | -.09361908 |
| 6 | 5d | 1.725936 | .01205957 |
| 7 | 4d | 4.546219 | .00262086 |
| 8 | 5d | 3.762533 | -.00032438 |
| 9 | 3d | 5.739835 | .00095329 |
| ORB.ENERGY,a.u. | -.081281 | ||
| NORM | .999989 | < R > | 16.903180 | < R2 > | 325.037526 | < 1/R > | .083549 | < 1/R**2 > | .015128 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.640885 | .66891928 |
| 2 | 2p | 4.482825 | .37599220 |
| 3 | 2p | 11.062362 | .01103095 |
| 4 | 3p | 1.896594 | .03439897 |
| 5 | 4p | 6.577416 | -.02979431 |
| 6 | 4p | 1.874109 | -.00912282 |
| 7 | 5p | 22.862608 | -.00016969 |
| ORB.ENERGY,a.u. | -2.161800 | ||
| NORM | 1.000000 | < R > | .804710 | < R2 > | .812886 | < 1/R > | 1.638507 | < 1/R**2 > | 3.810087 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.311314 | .31833714 |
| 2 | 2s | 3.739258 | -.82634653 |
| 3 | 3s | 3.010414 | -.30162551 |
| 4 | 4s | 12.782836 | .01222793 |
| 5 | 3s | 14.511145 | .00431832 |
| 6 | 5s | 26.625006 | .00033095 |
| 7 | 5s | 2.075305 | -.02546334 |
| 8 | 4s | 1.861615 | .03126514 |
| ORB.ENERGY,a.u. | -2.422000 | ||
| NORM | 1.000000 | < R > | .828259 | < R2 > | .818544 | < 1/R > | 1.746673 | < 1/R**2 > | 12.537968 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.241743 | .90183629 |
| 2 | 1s | 14.171468 | .09605450 |
| 3 | 1s | 24.795609 | -.00054096 |
| 4 | 2s | 6.961099 | .01557056 |
| 5 | 3s | 10.694165 | -.00734470 |
| 6 | 4s | 19.476755 | .00281404 |
| 7 | 5s | 71.266696 | -.00000886 |
| 8 | 5s | 5.495453 | .00059841 |
| ORB.ENERGY,a.u. | -32.883000 |
| NORM | 1.000000 | < R > | .157455 | < R2 > | .033372 | < 1/R > | 9.624157 | < 1/R**2 > | 187.373090 |
Total Energy= -126.45380542 a.u.
Kinetic Energy= 126.45339549 a.u.
Potential Energy= -252.90720090 a.u.
Virial Ratio = -2.00000324