(1s 2 2s 2 2p 6 3s 2 3p 4 5d 1 ) 4 D Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4252.
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 | .384107 | .67573957 |
| 2 | 4d | .589664 | -1.67856157 |
| 3 | 5d | .461567 | 1.34307304 |
| 4 | 3d | 1.359412 | .16981473 |
| 5 | 3d | 2.230930 | .14783403 |
| 6 | 4d | 2.400940 | -.07020740 |
| 7 | 5d | 6.168124 | .00657634 |
| 8 | 3d | 6.856139 | .00836439 |
| ORB.ENERGY,a.u. | -.289120 | ||
| NORM | .999998 | < R > | 13.169384 | < R2 > | 196.565854 | < 1/R > | .108616 | < 1/R**2 > | .033443 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.913183 | .91683645 |
| 2 | 2p | 1.990050 | -1.16769384 |
| 3 | 3p | 4.617791 | -.45343999 |
| 4 | 2p | 10.524954 | .08017290 |
| 5 | 3p | 18.317429 | -.00179851 |
| 6 | 5p | 2.199673 | -.05614936 |
| 7 | 4p | 3.590096 | -.02166411 |
| 8 | 5p | 2.179979 | .00155159 |
| 9 | 5p | 46.727132 | -.00004421 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.474309 | < R2 > | 2.532338 | < 1/R > | .908746 | < 1/R**2 > | 1.818972 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.437521 | .76815751 |
| 2 | 1s | 9.981184 | .18048253 |
| 3 | 2s | 5.338848 | -.73166046 |
| 4 | 3s | 2.825548 | .52732934 |
| 5 | 4s | 5.847134 | .06911064 |
| 6 | 2s | 10.543155 | -.16901214 |
| 7 | 2s | 18.468289 | -.00535809 |
| 8 | 5s | 1.926178 | -.03271356 |
| 9 | 4s | 30.486712 | .00055346 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.343040 | < R2 > | 2.070471 | < 1/R > | 1.016896 | < 1/R**2 > | 6.067285 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.897447 | .47266144 |
| 2 | 3p | 8.064450 | .47419366 |
| 3 | 4p | 6.705753 | .14350717 |
| 4 | 5p | 5.306541 | .00959760 |
| 5 | 2p | 20.013434 | .00691743 |
| 6 | 5p | 15.409933 | -.00705698 |
| 7 | 3p | 48.498703 | .00003733 |
| 8 | 3p | 2.285104 | .00146213 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375289 | < R2 > | .174346 | < 1/R > | 3.450726 | < 1/R**2 > | 16.532934 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.489555 | .38362312 |
| 2 | 2s | 7.544833 | -.80325587 |
| 3 | 3s | 6.939021 | -.26219293 |
| 4 | 4s | 30.427956 | .00159588 |
| 5 | 3s | 17.941370 | .00716085 |
| 6 | 2s | 4.311193 | -.08028255 |
| 7 | 5s | 3.286081 | -.01148108 |
| 8 | 4s | 2.972679 | .01403993 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411773 | < R2 > | .200657 | < 1/R > | 3.559397 | < 1/R**2 > | 52.087963 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580827 | 1.00986003 |
| 2 | 2s | 22.411425 | -.01728747 |
| 3 | 3s | 14.920313 | .01754115 |
| 4 | 4s | 51.132146 | -.00050664 |
| 5 | 4s | 12.552653 | .00288790 |
| 6 | 5s | 60.165176 | .00012282 |
| 7 | 5s | 16.004674 | -.00409521 |
| 8 | 2s | 34.437297 | -.00228502 |
| 9 | 2s | 85.514721 | .00004381 |
| 10 | 5s | 3.803486 | -.00002727 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086097 | < R2 > | .009958 | < 1/R > | 17.554057 | < 1/R**2 > | 621.170615 |
Total Energy= -525.40341367 a.u.
Kinetic Energy= 525.40740253 a.u.
Potential Energy= -1050.81081619 a.u.
Virial Ratio = -1.99999241