(1s 2 2s 2 2p 6 3s 2 3p 4 4d 1 ) 4 F Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4342.
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 | 3d | 1.244571 | .30282843 |
| 2 | 4d | .573998 | -.66384182 |
| 3 | 3d | 2.684117 | .23244004 |
| 4 | 4d | 4.146984 | -.03611717 |
| 5 | 5d | 3.642310 | -.04745118 |
| 6 | 5d | .734669 | -.36780717 |
| 7 | 3d | 8.105602 | .00485768 |
| ORB.ENERGY,a.u. | -.351830 | ||
| NORM | 1.000000 | < R > | 7.558235 | < R2 > | 65.691693 | < 1/R > | .188639 | < 1/R**2 > | .080442 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.896231 | .92163156 |
| 2 | 2p | 1.987348 | -1.17176744 |
| 3 | 3p | 4.613253 | -.45518460 |
| 4 | 2p | 10.504950 | .08059444 |
| 5 | 3p | 18.168458 | -.00186242 |
| 6 | 5p | 2.194449 | -.05684362 |
| 7 | 4p | 3.829741 | -.02064094 |
| 8 | 5p | .779198 | .00044467 |
| 9 | 5p | 47.562522 | -.00004257 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.478052 | < R2 > | 2.546087 | < 1/R > | .906495 | < 1/R**2 > | 1.810331 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.436636 | .76713133 |
| 2 | 1s | 10.007530 | .17948240 |
| 3 | 2s | 5.340607 | -.72849743 |
| 4 | 3s | 2.818888 | .52471398 |
| 5 | 4s | 5.811528 | .06969137 |
| 6 | 2s | 10.533226 | -.16845584 |
| 7 | 2s | 18.477894 | -.00538265 |
| 8 | 5s | 1.906883 | -.03106818 |
| 9 | 4s | 30.477038 | .00054481 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.345158 | < R2 > | 2.077611 | < 1/R > | 1.015293 | < 1/R**2 > | 6.047511 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.897440 | .47268106 |
| 2 | 3p | 8.064447 | .47417844 |
| 3 | 4p | 6.705548 | .14350500 |
| 4 | 5p | 5.305313 | .00960057 |
| 5 | 2p | 20.012671 | .00691717 |
| 6 | 5p | 15.407938 | -.00705532 |
| 7 | 3p | 48.536682 | .00003733 |
| 8 | 3p | 2.283119 | .00146504 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375286 | < R2 > | .174345 | < 1/R > | 3.450772 | < 1/R**2 > | 16.533405 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.489729 | .38361823 |
| 2 | 2s | 7.544865 | -.80325023 |
| 3 | 3s | 6.939095 | -.26219124 |
| 4 | 4s | 30.449799 | .00159360 |
| 5 | 3s | 17.947369 | .00715993 |
| 6 | 2s | 4.310658 | -.08028509 |
| 7 | 5s | 3.288703 | -.01147346 |
| 8 | 4s | 2.974765 | .01402341 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411774 | < R2 > | .200659 | < 1/R > | 3.559405 | < 1/R**2 > | 52.088295 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580854 | 1.00985968 |
| 2 | 2s | 22.410181 | -.01728708 |
| 3 | 3s | 14.921036 | .01754016 |
| 4 | 4s | 51.140289 | -.00050669 |
| 5 | 4s | 12.551430 | .00288827 |
| 6 | 5s | 60.166068 | .00012287 |
| 7 | 5s | 16.004897 | -.00409521 |
| 8 | 2s | 34.438552 | -.00228519 |
| 9 | 2s | 85.515177 | .00004379 |
| 10 | 5s | 3.788417 | -.00002705 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086097 | < R2 > | .009958 | < 1/R > | 17.554095 | < 1/R**2 > | 621.172703 |
Total Energy= -525.46697494 a.u.
Kinetic Energy= 525.47026579 a.u.
Potential Energy= -1050.93724073 a.u.
Virial Ratio = -1.99999374