(1s 2 2s 2 2p 6 3s 2 3p 4 5p 1 ) 2 D Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2251.
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 | 4p | .930622 | .79783463 |
| 2 | 5p | .585379 | -1.23946726 |
| 3 | 3p | 3.002009 | -.13407358 |
| 4 | 2p | 11.358922 | .00852815 |
| 5 | 2p | 5.907166 | .04740341 |
| 6 | 5p | 2.622908 | -.06548792 |
| 7 | 3p | 24.551536 | -.00009818 |
| ORB.ENERGY,a.u. | -.332850 | ||
| NORM | .999999 | < R > | 9.886852 | < R2 > | 109.594716 | < 1/R > | .132136 | < 1/R**2 > | .056457 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.832050 | .93850313 |
| 2 | 2p | 2.004939 | -1.18424155 |
| 3 | 3p | 4.502965 | -.47441762 |
| 4 | 2p | 10.318952 | .08736084 |
| 5 | 3p | 16.342472 | -.00258820 |
| 6 | 4p | 1.852363 | -.06959563 |
| 7 | 5p | .575270 | -.00260520 |
| 8 | 5p | 1.525285 | .00706196 |
| 9 | 4p | 36.224680 | -.00013189 |
| 10 | 4p | 92.073217 | -.00000068 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.472518 | < R2 > | 2.526069 | < 1/R > | .909885 | < 1/R**2 > | 1.823626 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.437677 | .76859708 |
| 2 | 1s | 9.980739 | .18056373 |
| 3 | 2s | 5.338387 | -.73209605 |
| 4 | 3s | 2.827323 | .52776831 |
| 5 | 4s | 5.847938 | .06878370 |
| 6 | 2s | 10.542365 | -.16916046 |
| 7 | 2s | 18.475043 | -.00535454 |
| 8 | 5s | 1.936562 | -.03299850 |
| 9 | 4s | 30.460667 | .00055424 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.342580 | < R2 > | 2.069026 | < 1/R > | 1.017288 | < 1/R**2 > | 6.072421 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.897885 | .47257997 |
| 2 | 3p | 8.064393 | .47426687 |
| 3 | 4p | 6.705242 | .14353571 |
| 4 | 5p | 5.297684 | .00962120 |
| 5 | 2p | 20.011944 | .00691780 |
| 6 | 5p | 15.408175 | -.00705593 |
| 7 | 3p | 48.520374 | .00003735 |
| 8 | 3p | 2.276938 | .00146828 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375313 | < R2 > | .174373 | < 1/R > | 3.450561 | < 1/R**2 > | 16.531561 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.489325 | .38361973 |
| 2 | 2s | 7.544762 | -.80325582 |
| 3 | 3s | 6.938556 | -.26219962 |
| 4 | 4s | 30.402107 | .00159812 |
| 5 | 3s | 17.935296 | .00715960 |
| 6 | 2s | 4.311243 | -.08028353 |
| 7 | 5s | 3.288002 | -.01147115 |
| 8 | 4s | 2.973596 | .01403285 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411784 | < R2 > | .200669 | < 1/R > | 3.559290 | < 1/R**2 > | 52.085029 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580790 | 1.00986070 |
| 2 | 2s | 22.412990 | -.01728822 |
| 3 | 3s | 14.919382 | .01754245 |
| 4 | 4s | 51.121896 | -.00050659 |
| 5 | 4s | 12.554300 | .00288740 |
| 6 | 5s | 60.163348 | .00012275 |
| 7 | 5s | 16.004341 | -.00409522 |
| 8 | 2s | 34.435629 | -.00228479 |
| 9 | 2s | 85.508978 | .00004384 |
| 10 | 5s | 3.824574 | -.00002755 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086098 | < R2 > | .009958 | < 1/R > | 17.554010 | < 1/R**2 > | 621.167945 |
Total Energy= -525.45206149 a.u.
Kinetic Energy= 525.45100501 a.u.
Potential Energy= -1050.90306649 a.u.
Virial Ratio = -2.00000201