(1s 2 2s 2 2p 6 3s 2 3p 5 5d 1 ) 3 P Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3152.
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 | .417533 | .43982597 |
| 2 | 4d | .198126 | -4.83112618 |
| 3 | 5d | .213087 | 5.15507815 |
| 4 | 3d | .950135 | .09221840 |
| 5 | 3d | 2.104433 | .15578566 |
| 6 | 4d | 2.581864 | -.07522161 |
| 7 | 5d | 4.650144 | -.00428129 |
| 8 | 3d | 7.825340 | .00206293 |
| 9 | 3d | .078616 | .00357301 |
| ORB.ENERGY,a.u. | -.022715 | ||
| NORM | 1.000020 | < R > | 29.285776 | < R2 > | 995.755815 | < 1/R > | .059710 | < 1/R**2 > | .014756 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 3p | 34.590169 | -.00016261 |
| 2 | 2p | 5.231987 | .30084415 |
| 3 | 2p | 1.653375 | -.94510518 |
| 4 | 3p | 3.184835 | -.17002691 |
| 5 | 2p | 7.910773 | .18017657 |
| 6 | 3p | 9.641243 | -.06340096 |
| 7 | 4p | 25.673854 | -.00092058 |
| 8 | 4p | 1.347661 | -.04455814 |
| 9 | 5p | 51.597441 | -.00002943 |
| 10 | 3p | 1.148803 | .03898323 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.560460 | < R2 > | 2.869250 | < 1/R > | .862455 | < 1/R**2 > | 1.649315 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.286480 | .81236581 |
| 2 | 1s | 10.257807 | .17089123 |
| 3 | 2s | 5.407953 | -.67740029 |
| 4 | 3s | 2.827732 | .45055032 |
| 5 | 4s | 5.542961 | .05915202 |
| 6 | 2s | 10.384261 | -.15244339 |
| 7 | 2s | 16.734040 | -.00918427 |
| 8 | 5s | 1.816061 | -.04960921 |
| 9 | 4s | 31.157344 | .00062069 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.382161 | < R2 > | 2.204950 | < 1/R > | .988318 | < 1/R**2 > | 5.720570 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.929595 | .47311700 |
| 2 | 3p | 8.056906 | .47293240 |
| 3 | 4p | 6.733265 | .14363552 |
| 4 | 5p | 5.301378 | .01113875 |
| 5 | 2p | 20.933779 | .00547053 |
| 6 | 5p | 15.949874 | -.00567719 |
| 7 | 3p | 44.040953 | .00005580 |
| 8 | 3p | 2.031199 | .00181991 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375597 | < R2 > | .174704 | < 1/R > | 3.448795 | < 1/R**2 > | 16.517432 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343459 | .38923248 |
| 2 | 2s | 7.634512 | -.82053387 |
| 3 | 3s | 6.808405 | -.29465381 |
| 4 | 4s | 30.790258 | .00337518 |
| 5 | 3s | 14.440817 | .01383693 |
| 6 | 2s | 4.008171 | -.04578728 |
| 7 | 5s | 2.985101 | -.00537383 |
| 8 | 5s | 41.244435 | -.00056237 |
| 9 | 2s | 106.948500 | -.00000280 |
| 10 | 4s | 2.699687 | .00611301 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412082 | < R2 > | .201003 | < 1/R > | 3.556910 | < 1/R**2 > | 52.021975 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580404 | 1.00987093 |
| 2 | 2s | 22.430349 | -.01729964 |
| 3 | 3s | 14.908282 | .01755735 |
| 4 | 4s | 51.034232 | -.00050581 |
| 5 | 4s | 12.557562 | .00288658 |
| 6 | 5s | 60.231533 | .00012313 |
| 7 | 5s | 15.991884 | -.00410156 |
| 8 | 2s | 34.415341 | -.00228278 |
| 9 | 2s | 84.924649 | .00004486 |
| 10 | 5s | 3.960306 | -.00003457 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553548 | < 1/R**2 > | 621.142812 |
Total Energy= -526.29517416 a.u.
Kinetic Energy= 526.29732279 a.u.
Potential Energy= -1052.59249696 a.u.
Virial Ratio = -1.99999592