(1s 2 2s 2 2p 6 3s 2 3p 5 5p 1 ) 3 P Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 2p | 1.975570 | -.08155354 |
| 2 | 2p | .213963 | -.36417677 |
| 3 | 4p | .570035 | .63391232 |
| 4 | 5p | .339994 | -.90429748 |
| 5 | 3p | 1.084390 | -.11094043 |
| 6 | 3p | .796882 | .28288873 |
| 7 | 2p | 5.423689 | .03330162 |
| 8 | 2p | 11.021311 | .00496397 |
| 9 | 4p | 33.003929 | -.00003705 |
| ORB.ENERGY,a.u. | -.043686 | ||
| NORM | 1.000001 | < R > | 16.340750 | < R2 > | 301.827398 | < 1/R > | .079824 | < 1/R**2 > | .018195 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.173437 | .29664906 |
| 2 | 2p | 1.651908 | -.93989150 |
| 3 | 3p | 3.204456 | -.17486486 |
| 4 | 2p | 7.928758 | .18235990 |
| 5 | 3p | 9.727155 | -.05925962 |
| 6 | 4p | 28.003844 | -.00065107 |
| 7 | 4p | 1.220101 | -.03046926 |
| 8 | 5p | 64.314453 | -.00002571 |
| 9 | 3p | .971495 | .02369253 |
| 10 | 5p | .484621 | -.00051111 |
| 11 | 2p | 79.166767 | .00000438 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.558714 | < R2 > | 2.861788 | < 1/R > | .863281 | < 1/R**2 > | 1.652321 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.286457 | .81283942 |
| 2 | 1s | 10.257142 | .17094315 |
| 3 | 2s | 5.407649 | -.67770624 |
| 4 | 3s | 2.827629 | .45081062 |
| 5 | 4s | 5.546247 | .05904372 |
| 6 | 2s | 10.383956 | -.15251489 |
| 7 | 2s | 16.738345 | -.00918427 |
| 8 | 5s | 1.819052 | -.05038101 |
| 9 | 4s | 31.172101 | .00061821 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.381701 | < R2 > | 2.203191 | < 1/R > | .988583 | < 1/R**2 > | 5.723489 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.929839 | .47307387 |
| 2 | 3p | 8.056844 | .47297110 |
| 3 | 4p | 6.732892 | .14365215 |
| 4 | 5p | 5.296408 | .01115444 |
| 5 | 2p | 20.932637 | .00547042 |
| 6 | 5p | 15.947860 | -.00567536 |
| 7 | 3p | 44.051287 | .00005588 |
| 8 | 3p | 2.026100 | .00182611 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375612 | < R2 > | .174721 | < 1/R > | 3.448699 | < 1/R**2 > | 16.516656 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343221 | .38923500 |
| 2 | 2s | 7.634496 | -.82053857 |
| 3 | 3s | 6.808213 | -.29465780 |
| 4 | 4s | 30.776061 | .00337393 |
| 5 | 3s | 14.438943 | .01383779 |
| 6 | 2s | 4.007730 | -.04579077 |
| 7 | 5s | 2.987403 | -.00536775 |
| 8 | 5s | 41.225638 | -.00056199 |
| 9 | 2s | 101.666161 | -.00000300 |
| 10 | 4s | 2.701057 | .00610941 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412089 | < R2 > | .201011 | < 1/R > | 3.556849 | < 1/R**2 > | 52.020352 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580390 | 1.00987108 |
| 2 | 2s | 22.431042 | -.01729980 |
| 3 | 3s | 14.907893 | .01755787 |
| 4 | 4s | 51.030018 | -.00050578 |
| 5 | 4s | 12.558183 | .00288640 |
| 6 | 5s | 60.230671 | .00012310 |
| 7 | 5s | 15.991732 | -.00410157 |
| 8 | 2s | 34.414587 | -.00228269 |
| 9 | 2s | 84.919579 | .00004488 |
| 10 | 5s | 3.965998 | -.00003472 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553528 | < 1/R**2 > | 621.141708 |
Total Energy= -526.31898324 a.u.
Kinetic Energy= 526.31819535 a.u.
Potential Energy= -1052.63717859 a.u.
Virial Ratio = -2.00000150