(1s 2 2s 2 2p 6 3s 2 3p 5 5d 1 ) 1 P Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1152.
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 | .265957 | 1.09871852 |
| 2 | 4d | .184948 | -7.80173931 |
| 3 | 5d | .196227 | 7.22543484 |
| 4 | 3d | .243336 | .37863608 |
| 5 | 3d | 3.194412 | .00425308 |
| 6 | 4d | 1.725481 | -.00160482 |
| 7 | 5d | 5.260362 | -.00107785 |
| 8 | 4d | 16.942899 | .00003367 |
| ORB.ENERGY,a.u. | -.020156 | ||
| NORM | .999965 | < R > | 34.246950 | < R2 > | 1329.922891 | < 1/R > | .040271 | < 1/R**2 > | .003274 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.178624 | .29499360 |
| 2 | 2p | 1.647855 | -.93544131 |
| 3 | 3p | 3.190503 | -.17956748 |
| 4 | 2p | 7.946486 | .18283735 |
| 5 | 3p | 9.778626 | -.05921301 |
| 6 | 4p | 27.828216 | -.00082023 |
| 7 | 4p | 1.260777 | -.02792136 |
| 8 | 5p | 58.959664 | -.00003423 |
| 9 | 3p | 1.038644 | .02258215 |
| 10 | 3p | 45.667437 | -.00006167 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.558414 | < R2 > | 2.860390 | < 1/R > | .863396 | < 1/R**2 > | 1.652674 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.286619 | .81284081 |
| 2 | 1s | 10.257339 | .17095944 |
| 3 | 2s | 5.407754 | -.67777511 |
| 4 | 3s | 2.827979 | .45086058 |
| 5 | 4s | 5.544737 | .05904361 |
| 6 | 2s | 10.383718 | -.15253943 |
| 7 | 2s | 16.738962 | -.00918455 |
| 8 | 5s | 1.818501 | -.05043608 |
| 9 | 4s | 31.171715 | .00061824 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.381530 | < R2 > | 2.202589 | < 1/R > | .988705 | < 1/R**2 > | 5.724952 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.929737 | .47308975 |
| 2 | 3p | 8.056846 | .47295676 |
| 3 | 4p | 6.733019 | .14364664 |
| 4 | 5p | 5.297749 | .01115009 |
| 5 | 2p | 20.933133 | .00547039 |
| 6 | 5p | 15.948590 | -.00567589 |
| 7 | 3p | 44.043414 | .00005587 |
| 8 | 3p | 2.026721 | .00182528 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375608 | < R2 > | .174716 | < 1/R > | 3.448727 | < 1/R**2 > | 16.516880 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343309 | .38923451 |
| 2 | 2s | 7.634502 | -.82053690 |
| 3 | 3s | 6.808304 | -.29465631 |
| 4 | 4s | 30.779640 | .00337458 |
| 5 | 3s | 14.439665 | .01383751 |
| 6 | 2s | 4.007956 | -.04578920 |
| 7 | 5s | 2.985922 | -.00537069 |
| 8 | 5s | 41.226555 | -.00056217 |
| 9 | 2s | 103.595450 | -.00000293 |
| 10 | 4s | 2.700168 | .00611216 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412086 | < R2 > | .201007 | < 1/R > | 3.556876 | < 1/R**2 > | 52.021061 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580394 | 1.00987107 |
| 2 | 2s | 22.430823 | -.01729980 |
| 3 | 3s | 14.908007 | .01755771 |
| 4 | 4s | 51.031575 | -.00050578 |
| 5 | 4s | 12.557993 | .00288646 |
| 6 | 5s | 60.231406 | .00012311 |
| 7 | 5s | 15.991769 | -.00410157 |
| 8 | 2s | 34.414797 | -.00228272 |
| 9 | 2s | 84.920259 | .00004487 |
| 10 | 5s | 3.964224 | -.00003468 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553534 | < 1/R**2 > | 621.142041 |
Total Energy= -526.29514145 a.u.
Kinetic Energy= 526.29470843 a.u.
Potential Energy= -1052.58984988 a.u.
Virial Ratio = -2.00000082