(1s 2 2s 2 2p 6 3s 2 3p 5 4d 1 ) 3 P Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3142.
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 | 4d | .394096 | -.73231588 |
| 2 | 3d | .369225 | 1.06707836 |
| 3 | 3d | 1.351307 | .82128848 |
| 4 | 4d | 2.230139 | -.28834382 |
| 5 | 5d | 1.769290 | -.38779121 |
| 6 | 5d | .298896 | -.95701508 |
| 7 | 3d | 6.269250 | .00521160 |
| 8 | 4d | 15.817337 | .00022879 |
| 9 | 5d | 57.371730 | .00000908 |
| 10 | 4d | .130734 | -.00333572 |
| ORB.ENERGY,a.u. | -.036088 | ||
| NORM | .999996 | < R > | 16.906314 | < R2 > | 341.848868 | < 1/R > | .099526 | < 1/R**2 > | .028352 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.164100 | .29395965 |
| 2 | 2p | 1.646674 | -.93222208 |
| 3 | 3p | 3.199103 | -.18053572 |
| 4 | 2p | 7.958950 | .18248427 |
| 5 | 3p | 9.804101 | -.05813652 |
| 6 | 4p | 28.037843 | -.00080236 |
| 7 | 4p | 1.260542 | -.02855163 |
| 8 | 5p | 59.921978 | -.00003309 |
| 9 | 3p | 1.021227 | .01894754 |
| 10 | 3p | 46.633354 | -.00005676 |
| 11 | 5p | .248965 | .00010520 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.562309 | < R2 > | 2.877338 | < 1/R > | .861620 | < 1/R**2 > | 1.646352 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.286378 | .81195352 |
| 2 | 1s | 10.258488 | .17082503 |
| 3 | 2s | 5.408162 | -.67707301 |
| 4 | 3s | 2.827445 | .45027953 |
| 5 | 4s | 5.541211 | .05925535 |
| 6 | 2s | 10.384773 | -.15235587 |
| 7 | 2s | 16.731868 | -.00917986 |
| 8 | 5s | 1.815170 | -.04885534 |
| 9 | 4s | 31.149043 | .00062210 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.382726 | < R2 > | 2.207101 | < 1/R > | .987979 | < 1/R**2 > | 5.716795 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.929388 | .47315051 |
| 2 | 3p | 8.056912 | .47290231 |
| 3 | 4p | 6.733495 | .14362394 |
| 4 | 5p | 5.304487 | .01112896 |
| 5 | 2p | 20.934759 | .00547047 |
| 6 | 5p | 15.951185 | -.00567825 |
| 7 | 3p | 44.023600 | .00005578 |
| 8 | 3p | 2.034841 | .00181530 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375588 | < R2 > | .174693 | < 1/R > | 3.448855 | < 1/R**2 > | 16.517920 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343549 | .38923247 |
| 2 | 2s | 7.634527 | -.82053241 |
| 3 | 3s | 6.808518 | -.29465211 |
| 4 | 4s | 30.796960 | .00337552 |
| 5 | 3s | 14.441279 | .01383677 |
| 6 | 2s | 4.008311 | -.04578619 |
| 7 | 5s | 2.984322 | -.00537606 |
| 8 | 5s | 41.253792 | -.00056249 |
| 9 | 2s | 109.056552 | -.00000272 |
| 10 | 4s | 2.699317 | .00611384 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412078 | < R2 > | .200999 | < 1/R > | 3.556941 | < 1/R**2 > | 52.022822 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580414 | 1.00987070 |
| 2 | 2s | 22.429985 | -.01729938 |
| 3 | 3s | 14.908518 | .01755701 |
| 4 | 4s | 51.036919 | -.00050581 |
| 5 | 4s | 12.557169 | .00288670 |
| 6 | 5s | 60.232382 | .00012315 |
| 7 | 5s | 15.991952 | -.00410155 |
| 8 | 2s | 34.415735 | -.00228284 |
| 9 | 2s | 84.924114 | .00004486 |
| 10 | 5s | 3.956730 | -.00003448 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553560 | < 1/R**2 > | 621.143498 |
Total Energy= -526.30653308 a.u.
Kinetic Energy= 526.31072147 a.u.
Potential Energy= -1052.61725455 a.u.
Virial Ratio = -1.99999204