(1s 2 2s 2 2p 6 3s 2 3p 3 5s 1 ) 3 S Ar 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 14.601535 | .02738235 |
| 2 | 2s | 5.788279 | -.12002575 |
| 3 | 3s | 3.793079 | .10994384 |
| 4 | 4s | 1.313412 | -1.02747799 |
| 5 | 5s | .883151 | 1.35760157 |
| 6 | 3s | 2.310950 | .24515563 |
| 7 | 4s | 30.810933 | .00060643 |
| 8 | 3s | 47.180661 | .00015036 |
| 9 | 2s | .419144 | .00658385 |
| 10 | 2s | 75.044053 | .00001453 |
| ORB.ENERGY,a.u. | -.337180 | ||
| NORM | 1.000000 | < R > | 6.756470 | < R2 > | 50.964818 | < 1/R > | .195256 | < 1/R**2 > | .308800 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 6.481783 | .56754124 |
| 2 | 2p | 2.093618 | -1.21678126 |
| 3 | 3p | 10.737916 | -.06620629 |
| 4 | 4p | 5.647845 | .15711779 |
| 5 | 5p | 12.045034 | -.02002678 |
| 6 | 4p | 1.886457 | -.11071464 |
| 7 | 5p | 2.093231 | .08170685 |
| 8 | 4p | 37.176437 | -.00009443 |
| ORB.ENERGY,a.u. | -1.438900 | ||
| NORM | 1.000000 | < R > | 1.398097 | < R2 > | 2.258572 | < 1/R > | .956159 | < 1/R**2 > | 2.001362 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.824383 | 2.17561192 |
| 2 | 1s | 19.682440 | .02178193 |
| 3 | 2s | 6.581706 | -1.29972053 |
| 4 | 3s | 1.401644 | -.06582190 |
| 5 | 4s | 5.491258 | -.45967277 |
| 6 | 5s | 8.857331 | -.13100470 |
| 7 | 4s | 1.176273 | .04628703 |
| 8 | 3s | 60.610184 | -.00008147 |
| 9 | 5s | .763851 | .02399703 |
| 10 | 4s | 102.291216 | .00001967 |
| 11 | 2s | .516715 | -.04540413 |
| ORB.ENERGY,a.u. | -2.244300 | ||
| NORM | 1.000000 | < R > | 1.303049 | < R2 > | 1.941170 | < 1/R > | 1.049361 | < 1/R**2 > | 6.478282 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.811885 | .46371129 |
| 2 | 3p | 8.132740 | .46804383 |
| 3 | 4p | 6.744561 | .15212744 |
| 4 | 5p | 5.206942 | .00873702 |
| 5 | 2p | 16.553979 | .01661636 |
| 6 | 5p | 14.582229 | -.00786263 |
| 7 | 4p | 60.042404 | .00002689 |
| 8 | 3p | 2.218747 | .00041446 |
| 9 | 3p | 23.015727 | -.00109294 |
| 10 | 2p | 119.291406 | -.00000097 |
| ORB.ENERGY,a.u. | -10.577000 | ||
| NORM | 1.000000 | < R > | .374849 | < R2 > | .173840 | < 1/R > | 3.453486 | < 1/R**2 > | 16.554982 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.460828 | .38514606 |
| 2 | 2s | 7.567528 | -.81187665 |
| 3 | 3s | 6.883349 | -.28000026 |
| 4 | 4s | 30.458891 | .00173466 |
| 5 | 3s | 17.421722 | .00781671 |
| 6 | 2s | 4.079663 | -.05717196 |
| 7 | 5s | 2.931473 | -.01559207 |
| 8 | 4s | 2.578268 | .01819675 |
| 9 | 3s | .668579 | -.00020170 |
| 10 | 5s | 75.324792 | .00000905 |
| ORB.ENERGY,a.u. | -13.305000 | ||
| NORM | 1.000000 | < R > | .411327 | < R2 > | .200161 | < 1/R > | 3.562998 | < 1/R**2 > | 52.183659 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.581211 | 1.00986143 |
| 2 | 2s | 22.364863 | -.01728927 |
| 3 | 3s | 14.945256 | .01750817 |
| 4 | 4s | 51.752270 | -.00051338 |
| 5 | 4s | 12.527269 | .00290209 |
| 6 | 5s | 61.821413 | .00011603 |
| 7 | 5s | 16.001698 | -.00407410 |
| 8 | 2s | 34.518261 | -.00228622 |
| 9 | 2s | 86.970251 | .00004114 |
| 10 | 5s | 4.023418 | -.00001856 |
| ORB.ENERGY,a.u. | -119.190000 |
| NORM | 1.000000 | < R > | .086092 | < R2 > | .009957 | < 1/R > | 17.554746 | < 1/R**2 > | 621.208162 |
Total Energy= -524.20762580 a.u.
Kinetic Energy= 524.20180572 a.u.
Potential Energy= -1048.40943152 a.u.
Virial Ratio = -2.00001110