(1s 2 2s 2 2p 6 3s 2 3p 5 4d 1 ) 3 F Ar 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 | 1.069125 | .89802594 |
| 2 | 4d | .259291 | -1.38824979 |
| 3 | 3d | .349141 | .84179414 |
| 4 | 4d | 1.771885 | -.34166732 |
| 5 | 5d | 1.393789 | -.44462770 |
| 6 | 3d | 4.574147 | .00918717 |
| 7 | 4d | 12.228847 | .00076165 |
| 8 | 5d | 29.416106 | .00003317 |
| 9 | 3d | 24.355544 | .00003228 |
| ORB.ENERGY,a.u. | -.034224 | ||
| NORM | .999998 | < R > | 18.230123 | < R2 > | 392.551843 | < 1/R > | .086165 | < 1/R**2 > | .019422 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.236553 | .30073461 |
| 2 | 2p | 1.652159 | -.94480596 |
| 3 | 3p | 3.180357 | -.17094280 |
| 4 | 2p | 7.908275 | .18007261 |
| 5 | 3p | 9.635116 | -.06362294 |
| 6 | 4p | 25.549596 | -.00092610 |
| 7 | 4p | 1.363021 | -.04447721 |
| 8 | 5p | 50.719253 | -.00003179 |
| 9 | 3p | 1.182929 | .03963752 |
| 10 | 3p | 34.414924 | -.00016742 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.560810 | < R2 > | 2.871023 | < 1/R > | .862357 | < 1/R**2 > | 1.649087 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.286484 | .81233390 |
| 2 | 1s | 10.258076 | .17088329 |
| 3 | 2s | 5.407982 | -.67738243 |
| 4 | 3s | 2.827724 | .45053551 |
| 5 | 4s | 5.542585 | .05916937 |
| 6 | 2s | 10.384366 | -.15243583 |
| 7 | 2s | 16.735448 | -.00918028 |
| 8 | 5s | 1.817552 | -.04950195 |
| 9 | 4s | 31.158488 | .00062042 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.382218 | < R2 > | 2.205215 | < 1/R > | .988298 | < 1/R**2 > | 5.720430 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.929616 | .47311467 |
| 2 | 3p | 8.056904 | .47293512 |
| 3 | 4p | 6.733218 | .14363681 |
| 4 | 5p | 5.300643 | .01114100 |
| 5 | 2p | 20.933715 | .00547045 |
| 6 | 5p | 15.949731 | -.00567705 |
| 7 | 3p | 44.044288 | .00005580 |
| 8 | 3p | 2.028159 | .00182381 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375598 | < R2 > | .174706 | < 1/R > | 3.448790 | < 1/R**2 > | 16.517401 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343481 | .38923227 |
| 2 | 2s | 7.634512 | -.82053373 |
| 3 | 3s | 6.808426 | -.29465308 |
| 4 | 4s | 30.790816 | .00337544 |
| 5 | 3s | 14.441020 | .01383683 |
| 6 | 2s | 4.008202 | -.04578708 |
| 7 | 5s | 2.984643 | -.00537470 |
| 8 | 5s | 41.243437 | -.00056247 |
| 9 | 2s | 107.441901 | -.00000278 |
| 10 | 4s | 2.699398 | .00611402 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412081 | < R2 > | .201002 | < 1/R > | 3.556915 | < 1/R**2 > | 52.022133 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580407 | 1.00987070 |
| 2 | 2s | 22.430387 | -.01729938 |
| 3 | 3s | 14.908297 | .01755732 |
| 4 | 4s | 51.034300 | -.00050581 |
| 5 | 4s | 12.557543 | .00288659 |
| 6 | 5s | 60.231533 | .00012313 |
| 7 | 5s | 15.991888 | -.00410155 |
| 8 | 2s | 34.415341 | -.00228278 |
| 9 | 2s | 84.924698 | .00004486 |
| 10 | 5s | 3.959942 | -.00003456 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553549 | < 1/R**2 > | 621.142852 |
Total Energy= -526.30775466 a.u.
Kinetic Energy= 526.30879778 a.u.
Potential Energy= -1052.61655244 a.u.
Virial Ratio = -1.99999802