(1s 2 2s 2 2p 6 3s 2 3p 4 5d 1 ) 2 P Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2152.
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 | 5d- electron | |
| 1 | 3d | .712334 | .52580432 |
| 2 | 4d | .445776 | -3.27119934 |
| 3 | 5d | .423627 | 3.04640545 |
| 4 | 3d | .361076 | .31481856 |
| 5 | 3d | 1.757477 | .31436040 |
| 6 | 4d | 2.155052 | -.17827759 |
| 7 | 5d | 6.062154 | .00965639 |
| 8 | 3d | 6.613785 | .00984666 |
| ORB.ENERGY,a.u. | -.274320 | ||
| NORM | 1.000002 | < R > | 15.197162 | < R2 > | 266.968885 | < 1/R > | .107012 | < 1/R**2 > | .036995 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.916063 | .91297502 |
| 2 | 2p | 1.984028 | -1.16681491 |
| 3 | 3p | 4.614658 | -.45355579 |
| 4 | 2p | 10.525999 | .08021436 |
| 5 | 3p | 18.428428 | -.00179181 |
| 6 | 5p | 2.178062 | -.05280486 |
| 7 | 4p | 3.590698 | -.02107190 |
| 8 | 3p | 1.992805 | .00079249 |
| 9 | 5p | 46.711450 | -.00003794 |
| 10 | 4p | .734056 | -.00020870 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.475291 | < R2 > | 2.536614 | < 1/R > | .908486 | < 1/R**2 > | 1.818861 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.437880 | .76748030 |
| 2 | 1s | 9.983140 | .18038917 |
| 3 | 2s | 5.339501 | -.73119120 |
| 4 | 3s | 2.825408 | .52693195 |
| 5 | 4s | 5.838899 | .06925548 |
| 6 | 2s | 10.544013 | -.16889281 |
| 7 | 2s | 18.439126 | -.00536900 |
| 8 | 5s | 1.919099 | -.03171238 |
| 9 | 4s | 30.435449 | .00056633 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.343518 | < R2 > | 2.072231 | < 1/R > | 1.016605 | < 1/R**2 > | 6.064085 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.897867 | .47260566 |
| 2 | 3p | 8.064374 | .47425121 |
| 3 | 4p | 6.704951 | .14353408 |
| 4 | 5p | 5.292886 | .00963356 |
| 5 | 2p | 20.011331 | .00691703 |
| 6 | 5p | 15.406192 | -.00705417 |
| 7 | 3p | 48.577887 | .00003734 |
| 8 | 3p | 2.234260 | .00150795 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375313 | < R2 > | .174377 | < 1/R > | 3.450611 | < 1/R**2 > | 16.532114 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.489624 | .38362381 |
| 2 | 2s | 7.544841 | -.80325534 |
| 3 | 3s | 6.939150 | -.26219146 |
| 4 | 4s | 30.432067 | .00159582 |
| 5 | 3s | 17.942859 | .00716116 |
| 6 | 2s | 4.311292 | -.08028158 |
| 7 | 5s | 3.284819 | -.01148724 |
| 8 | 4s | 2.972065 | .01404472 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411769 | < R2 > | .200653 | < 1/R > | 3.559427 | < 1/R**2 > | 52.088777 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580830 | 1.00986001 |
| 2 | 2s | 22.411211 | -.01728745 |
| 3 | 3s | 14.920438 | .01754099 |
| 4 | 4s | 51.133599 | -.00050665 |
| 5 | 4s | 12.552526 | .00288793 |
| 6 | 5s | 60.165796 | .00012283 |
| 7 | 5s | 16.004714 | -.00409521 |
| 8 | 2s | 34.437494 | -.00228505 |
| 9 | 2s | 85.515830 | .00004381 |
| 10 | 5s | 3.801496 | -.00002723 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086097 | < R2 > | .009958 | < 1/R > | 17.554063 | < 1/R**2 > | 621.170894 |
Total Energy= -525.40299549 a.u.
Kinetic Energy= 525.39257440 a.u.
Potential Energy= -1050.79556989 a.u.
Virial Ratio = -2.00001983