(1s 2 2s 2 2p 6 3s 2 3p 5 4p 1 ) 3 P Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | 4p- electron | |
| 1 | 2p | .387871 | 1.00850329 |
| 2 | 5p | .610423 | .15149190 |
| 3 | 4p | 4.050028 | -.08999408 |
| 4 | 2p | 7.851336 | .03636821 |
| 5 | 5p | 2.888743 | -.07430487 |
| 6 | 3p | 11.149979 | -.00418528 |
| 7 | 3p | 1.122957 | -.23770964 |
| 8 | 4p | 38.651222 | -.00002521 |
| ORB.ENERGY,a.u. | -.089684 | ||
| NORM | 1.000000 | < R > | 7.598884 | < R2 > | 65.683083 | < 1/R > | .157873 | < 1/R**2 > | .051980 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.176316 | .29494726 |
| 2 | 2p | 1.648167 | -.93519119 |
| 3 | 3p | 3.193099 | -.17887923 |
| 4 | 2p | 7.952078 | .18258064 |
| 5 | 3p | 9.788445 | -.05886286 |
| 6 | 4p | 27.927790 | -.00081379 |
| 7 | 4p | 1.184332 | -.02803094 |
| 8 | 5p | 59.301100 | -.00003510 |
| 9 | 3p | .938765 | .02143311 |
| 10 | 3p | 46.546630 | -.00005816 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.559087 | < R2 > | 2.863423 | < 1/R > | .863130 | < 1/R**2 > | 1.651871 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.286065 | .81282119 |
| 2 | 1s | 10.256266 | .17092204 |
| 3 | 2s | 5.407387 | -.67758946 |
| 4 | 3s | 2.826657 | .45068631 |
| 5 | 4s | 5.549906 | .05913179 |
| 6 | 2s | 10.385173 | -.15245553 |
| 7 | 2s | 16.737022 | -.00917948 |
| 8 | 5s | 1.821254 | -.05027974 |
| 9 | 4s | 31.175793 | .00061834 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.382080 | < R2 > | 2.204545 | < 1/R > | .988319 | < 1/R**2 > | 5.720346 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.930049 | .47304206 |
| 2 | 3p | 8.056841 | .47300001 |
| 3 | 4p | 6.732633 | .14366307 |
| 4 | 5p | 5.293537 | .01116375 |
| 5 | 2p | 20.931574 | .00547046 |
| 6 | 5p | 15.946362 | -.00567403 |
| 7 | 3p | 44.069765 | .00005591 |
| 8 | 3p | 2.023822 | .00182915 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375621 | < R2 > | .174732 | < 1/R > | 3.448645 | < 1/R**2 > | 16.516224 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343112 | .38923392 |
| 2 | 2s | 7.634482 | -.82053972 |
| 3 | 3s | 6.808066 | -.29466046 |
| 4 | 4s | 30.770125 | .00337379 |
| 5 | 3s | 14.437977 | .01383801 |
| 6 | 2s | 4.007150 | -.04579480 |
| 7 | 5s | 2.989835 | -.00536256 |
| 8 | 5s | 41.221571 | -.00056203 |
| 9 | 2s | 99.300668 | -.00000312 |
| 10 | 4s | 2.702571 | .00610522 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412095 | < R2 > | .201017 | < 1/R > | 3.556799 | < 1/R**2 > | 52.019033 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580384 | 1.00987115 |
| 2 | 2s | 22.431431 | -.01729987 |
| 3 | 3s | 14.907680 | .01755814 |
| 4 | 4s | 51.027633 | -.00050576 |
| 5 | 4s | 12.558542 | .00288629 |
| 6 | 5s | 60.229866 | .00012308 |
| 7 | 5s | 15.991650 | -.00410157 |
| 8 | 2s | 34.414186 | -.00228263 |
| 9 | 2s | 84.916728 | .00004489 |
| 10 | 5s | 3.968955 | -.00003480 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553519 | < 1/R**2 > | 621.141216 |
Total Energy= -526.36682901 a.u.
Kinetic Energy= 526.36424137 a.u.
Potential Energy= -1052.73107038 a.u.
Virial Ratio = -2.00000492