(1s 2 2s 2 2p 6 3s 2 3p 5 5p 1 ) 3 D Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3251.
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 | 1.950106 | -.09398185 |
| 2 | 2p | .220461 | -.45513337 |
| 3 | 4p | .579068 | .62532250 |
| 4 | 5p | .348389 | -.84619711 |
| 5 | 3p | 1.096191 | -.09975883 |
| 6 | 3p | .786259 | .32245211 |
| 7 | 2p | 5.349631 | .03712626 |
| 8 | 2p | 10.853490 | .00591522 |
| 9 | 4p | 31.434107 | -.00005041 |
| ORB.ENERGY,a.u. | -.044955 | ||
| NORM | 1.000001 | < R > | 15.899032 | < R2 > | 285.722745 | < 1/R > | .082533 | < 1/R**2 > | .020841 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.266407 | .30116863 |
| 2 | 2p | 1.663208 | -.92831386 |
| 3 | 3p | 3.152270 | -.17262681 |
| 4 | 2p | 7.893351 | .17945302 |
| 5 | 3p | 9.610108 | -.06498509 |
| 6 | 4p | 25.752606 | -.00094397 |
| 7 | 4p | 1.450261 | -.01715090 |
| 8 | 5p | 51.978793 | -.00003269 |
| 9 | 3p | .212625 | .00049200 |
| 10 | 3p | 35.600166 | -.00014945 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.559140 | < R2 > | 2.863833 | < 1/R > | .863109 | < 1/R**2 > | 1.651718 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.286454 | .81283579 |
| 2 | 1s | 10.257159 | .17094341 |
| 3 | 2s | 5.407639 | -.67770836 |
| 4 | 3s | 2.827688 | .45081284 |
| 5 | 4s | 5.546188 | .05904208 |
| 6 | 2s | 10.383999 | -.15251544 |
| 7 | 2s | 16.738384 | -.00918349 |
| 8 | 5s | 1.819410 | -.05035409 |
| 9 | 4s | 31.170793 | .00061837 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000000 | < R > | 1.381710 | < R2 > | 2.203241 | < 1/R > | .988583 | < 1/R**2 > | 5.723508 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.929794 | .47308018 |
| 2 | 3p | 8.056846 | .47296488 |
| 3 | 4p | 6.732963 | .14364954 |
| 4 | 5p | 5.297640 | .01115072 |
| 5 | 2p | 20.932837 | .00547048 |
| 6 | 5p | 15.948064 | -.00567548 |
| 7 | 3p | 44.042494 | .00005589 |
| 8 | 3p | 2.027408 | .00182421 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375610 | < R2 > | .174718 | < 1/R > | 3.448711 | < 1/R**2 > | 16.516748 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343224 | .38923502 |
| 2 | 2s | 7.634496 | -.82053844 |
| 3 | 3s | 6.808217 | -.29465781 |
| 4 | 4s | 30.776366 | .00337386 |
| 5 | 3s | 14.438980 | .01383776 |
| 6 | 2s | 4.007745 | -.04579064 |
| 7 | 5s | 2.987364 | -.00536772 |
| 8 | 5s | 41.226637 | -.00056196 |
| 9 | 2s | 101.690267 | -.00000300 |
| 10 | 4s | 2.701010 | .00610962 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412089 | < R2 > | .201010 | < 1/R > | 3.556850 | < 1/R**2 > | 52.020385 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580390 | 1.00987109 |
| 2 | 2s | 22.431025 | -.01729982 |
| 3 | 3s | 14.907899 | .01755786 |
| 4 | 4s | 51.030232 | -.00050578 |
| 5 | 4s | 12.558173 | .00288641 |
| 6 | 5s | 60.231016 | .00012310 |
| 7 | 5s | 15.991729 | -.00410157 |
| 8 | 2s | 34.414606 | -.00228269 |
| 9 | 2s | 84.918818 | .00004488 |
| 10 | 5s | 3.965944 | -.00003471 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553528 | < 1/R**2 > | 621.141716 |
Total Energy= -526.31897432 a.u.
Kinetic Energy= 526.31947716 a.u.
Potential Energy= -1052.63845148 a.u.
Virial Ratio = -1.99999904