(1s 2 2s 2 2p 5 4d 1 ) 3 F Ne 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3342.
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 | 4d- electron | |
| 1 | 3d | .273704 | 1.57269727 |
| 2 | 4d | .248815 | -2.06428992 |
| 3 | 3d | .964520 | .01990764 |
| 4 | 4d | 1.232887 | -.01285155 |
| 5 | 3d | 3.119220 | .00144937 |
| 6 | 5d | 15.111230 | .00001162 |
| ORB.ENERGY,a.u. | -.031409 | ||
| NORM | .999999 | < R > | 20.857281 | < R2 > | 497.739321 | < 1/R > | .063266 | < 1/R**2 > | .006514 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.815020 | .14893030 |
| 2 | 2p | 2.550660 | .56761343 |
| 3 | 2p | 4.435502 | .30785559 |
| 4 | 2p | 10.410340 | .01917179 |
| 5 | 4p | 2.225595 | .03437189 |
| 6 | 4p | 10.184977 | .01611135 |
| 7 | 3p | 1.811522 | -.01872047 |
| 8 | 3p | 13.107470 | .00395162 |
| ORB.ENERGY,a.u. | -1.347100 | ||
| NORM | 1.000000 | < R > | .875917 | < R2 > | .982142 | < 1/R > | 1.536861 | < 1/R**2 > | 3.420094 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 8.479460 | .29810862 |
| 2 | 2s | 3.738678 | -.78254758 |
| 3 | 3s | 2.886830 | -.34503459 |
| 4 | 4s | 13.023969 | .01795469 |
| 5 | 3s | 20.916187 | .00423562 |
| 6 | 5s | 1.950353 | -.02381424 |
| 7 | 5s | 22.559547 | .00218434 |
| 8 | 4s | 1.618669 | .02870990 |
| 9 | 3s | 1.184076 | -.00593804 |
| 10 | 2s | 36.841081 | .00021458 |
| ORB.ENERGY,a.u. | -1.686480 | ||
| NORM | 1.000000 | < R > | .860284 | < R2 > | .890297 | < 1/R > | 1.685610 | < 1/R**2 > | 11.736306 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 9.243201 | .92164696 |
| 2 | 1s | 14.455005 | .08159112 |
| 3 | 2s | 5.578228 | .00867633 |
| 4 | 3s | 13.468016 | -.00701019 |
| 5 | 4s | 19.903975 | .00352732 |
| 6 | 5s | 29.462463 | -.00008998 |
| 7 | 5s | 3.699797 | .00024141 |
| ORB.ENERGY,a.u. | -31.822000 |
| NORM | 1.000000 | < R > | .157571 | < R2 > | .033436 | < 1/R > | 9.620054 | < 1/R**2 > | 187.253883 |
Total Energy= -127.84957111 a.u.
Kinetic Energy= 127.84922447 a.u.
Potential Energy= -255.69879558 a.u.
Virial Ratio = -2.00000271