(1s 2 2s 2 2p 6 3s 2 3p 5 5s 1 ) 1 P Ar 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1150.
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 | 5s- electron | |
| 1 | 1s | 14.256394 | .01205583 |
| 2 | 2s | 6.052431 | -.04579808 |
| 3 | 3s | 2.321637 | .30744832 |
| 4 | 4s | .829264 | -.30477316 |
| 5 | 5s | .432616 | .69163346 |
| 6 | 2s | .465504 | -.37379506 |
| 7 | 4s | 2.812306 | -.15286489 |
| 8 | 3s | .297449 | .49680744 |
| 9 | 5s | 43.186842 | .00005185 |
| ORB.ENERGY,a.u. | -.058144 | ||
| NORM | .999999 | < R > | 13.035058 | < R2 > | 191.571530 | < 1/R > | .099724 | < 1/R**2 > | .062697 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.175973 | .29464385 |
| 2 | 2p | 1.647896 | -.93380241 |
| 3 | 3p | 3.191403 | -.17969978 |
| 4 | 2p | 7.950974 | .18263201 |
| 5 | 3p | 9.787149 | -.05888016 |
| 6 | 4p | 27.912979 | -.00081734 |
| 7 | 4p | 1.191946 | -.03027542 |
| 8 | 5p | 59.272450 | -.00003798 |
| 9 | 3p | .922422 | .02346734 |
| 10 | 3p | 47.421164 | -.00005552 |
| 11 | 5p | .795381 | -.00089526 |
| ORB.ENERGY,a.u. | -.542220 | ||
| NORM | 1.000000 | < R > | 1.559688 | < R2 > | 2.866041 | < 1/R > | .862846 | < 1/R**2 > | 1.650800 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 21.200899 | .01328092 |
| 2 | 2s | 6.764616 | -1.24101395 |
| 3 | 3s | 3.368567 | -.35274592 |
| 4 | 4s | 5.958988 | -.44898252 |
| 5 | 5s | 9.335470 | -.09509495 |
| 6 | 2s | 1.873626 | .00790801 |
| 7 | 3s | 103.195704 | -.00000569 |
| 8 | 5s | .397670 | .00736110 |
| 9 | 4s | 63.543455 | -.00005172 |
| 10 | 4s | .330253 | -.00538914 |
| 11 | 1s | 1.762561 | 2.35391058 |
| ORB.ENERGY,a.u. | -1.228000 | ||
| NORM | 1.000001 | < R > | 1.381092 | < R2 > | 2.201527 | < 1/R > | .988995 | < 1/R**2 > | 5.728280 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.929858 | .47306928 |
| 2 | 3p | 8.056843 | .47297419 |
| 3 | 4p | 6.732832 | .14365374 |
| 4 | 5p | 5.296835 | .01115360 |
| 5 | 2p | 20.932370 | .00547046 |
| 6 | 5p | 15.946956 | -.00567449 |
| 7 | 3p | 44.053017 | .00005592 |
| 8 | 3p | 2.028474 | .00182242 |
| ORB.ENERGY,a.u. | -9.149100 | ||
| NORM | 1.000000 | < R > | .375613 | < R2 > | .174722 | < 1/R > | 3.448691 | < 1/R**2 > | 16.516580 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.343388 | .38923358 |
| 2 | 2s | 7.634509 | -.82053523 |
| 3 | 3s | 6.808386 | -.29465402 |
| 4 | 4s | 30.786238 | .00337490 |
| 5 | 3s | 14.440232 | .01383711 |
| 6 | 2s | 4.007921 | -.04578899 |
| 7 | 5s | 2.989811 | -.00536105 |
| 8 | 5s | 41.238415 | -.00056225 |
| 9 | 2s | 105.347852 | -.00000284 |
| 10 | 4s | 2.701725 | .00610605 |
| ORB.ENERGY,a.u. | -12.019000 | ||
| NORM | 1.000000 | < R > | .412084 | < R2 > | .201005 | < 1/R > | 3.556894 | < 1/R**2 > | 52.021596 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580397 | 1.00987091 |
| 2 | 2s | 22.430648 | -.01729960 |
| 3 | 3s | 14.908083 | .01755762 |
| 4 | 4s | 51.032120 | -.00050578 |
| 5 | 4s | 12.557622 | .00288657 |
| 6 | 5s | 60.231487 | .00012313 |
| 7 | 5s | 15.991903 | -.00410154 |
| 8 | 2s | 34.415118 | -.00228276 |
| 9 | 2s | 84.927451 | .00004486 |
| 10 | 5s | 3.987521 | -.00003475 |
| ORB.ENERGY,a.u. | -117.850000 |
| NORM | 1.000000 | < R > | .086101 | < R2 > | .009959 | < 1/R > | 17.553538 | < 1/R**2 > | 621.142189 |
Total Energy= -526.33360584 a.u.
Kinetic Energy= 526.33256944 a.u.
Potential Energy= -1052.66617528 a.u.
Virial Ratio = -2.00000197