(1s 2 2s 2 2p 6 3s 2 3p 5 3d 1 ) 3 F Ar 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 | .377849 | 1.27531823 |
| 2 | 4d | .479482 | -.33102905 |
| 3 | 3d | 1.476231 | .58163988 |
| 4 | 4d | 1.841413 | -.66556652 |
| 5 | 5d | 2.211229 | .22487820 |
| 6 | 3d | 6.929760 | .00366628 |
| 7 | 4d | 21.656205 | .00003765 |
| 8 | 5d | .317646 | .01258563 |
| ORB.ENERGY,a.u. | -.060461 | ||
| NORM | 1.000000 | < R > | 8.770687 | < R2 > | 92.230414 | < 1/R > | .149525 | < 1/R**2 > | .036261 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.230296 | .30101757 |
| 2 | 2p | 1.650630 | -.94705118 |
| 3 | 3p | 3.189235 | -.17044003 |
| 4 | 2p | 7.904786 | .18030091 |
| 5 | 3p | 9.619978 | -.06382282 |
| 6 | 4p | 24.797566 | -.00092312 |
| 7 | 4p | 1.389339 | -.03909919 |
| 8 | 5p | 48.479283 | -.00003174 |
| 9 | 3p | 1.274758 | .03519723 |
| 10 | 3p | 31.662805 | -.00022619 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.562307 | < R2 > | 2.877928 | < 1/R > | .861748 | < 1/R**2 > | 1.647037 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.286425 | .81221215 |
| 2 | 1s | 10.257894 | .17085570 |
| 3 | 2s | 5.407899 | -.67725996 |
| 4 | 3s | 2.827526 | .45038567 |
| 5 | 4s | 5.544048 | .05923381 |
| 6 | 2s | 10.383480 | -.15242012 |
| 7 | 2s | 16.748934 | -.00917157 |
| 8 | 5s | 1.820027 | -.04902997 |
| 9 | 4s | 31.254398 | .00060949 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.382584 | < R2 > | 2.206668 | < 1/R > | .988098 | < 1/R**2 > | 5.718293 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.929481 | .47313649 |
| 2 | 3p | 8.056903 | .47291562 |
| 3 | 4p | 6.733357 | .14362965 |
| 4 | 5p | 5.302347 | .01113551 |
| 5 | 2p | 20.934318 | .00547040 |
| 6 | 5p | 15.950507 | -.00567761 |
| 7 | 3p | 44.033891 | .00005579 |
| 8 | 3p | 2.028810 | .00182306 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375593 | < R2 > | .174700 | < 1/R > | 3.448828 | < 1/R**2 > | 16.517710 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343560 | .38923198 |
| 2 | 2s | 7.634518 | -.82053233 |
| 3 | 3s | 6.808521 | -.29465140 |
| 4 | 4s | 30.795968 | .00337566 |
| 5 | 3s | 14.441513 | .01383660 |
| 6 | 2s | 4.008337 | -.04578602 |
| 7 | 5s | 2.983908 | -.00537651 |
| 8 | 5s | 41.250474 | -.00056262 |
| 9 | 2s | 109.043627 | -.00000273 |
| 10 | 4s | 2.699016 | .00611526 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412078 | < R2 > | .200999 | < 1/R > | 3.556941 | < 1/R**2 > | 52.022806 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580414 | 1.00987055 |
| 2 | 2s | 22.430117 | -.01729922 |
| 3 | 3s | 14.908465 | .01755711 |
| 4 | 4s | 51.035848 | -.00050582 |
| 5 | 4s | 12.557287 | .00288666 |
| 6 | 5s | 60.231280 | .00012315 |
| 7 | 5s | 15.991955 | -.00410155 |
| 8 | 2s | 34.415610 | -.00228282 |
| 9 | 2s | 84.926626 | .00004485 |
| 10 | 5s | 3.957633 | -.00003450 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553558 | < 1/R**2 > | 621.143328 |
Total Energy= -526.33341928 a.u.
Kinetic Energy= 526.33506913 a.u.
Potential Energy= -1052.66848842 a.u.
Virial Ratio = -1.99999687