(1s 2 2s 2 2p 6 3s 2 3p 4 5d 1 ) 4 P Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4152.
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 | .506126 | .63975337 |
| 2 | 4d | .561691 | -2.01480603 |
| 3 | 5d | .442700 | 1.75952545 |
| 4 | 3d | 1.248717 | .15492088 |
| 5 | 3d | 2.180192 | .17386416 |
| 6 | 4d | 2.452207 | -.07699715 |
| 7 | 5d | 6.110455 | .00748422 |
| 8 | 3d | 6.838661 | .00868787 |
| ORB.ENERGY,a.u. | -.283620 | ||
| NORM | 1.000006 | < R > | 13.858862 | < R2 > | 218.920917 | < 1/R > | .108322 | < 1/R**2 > | .036161 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.912109 | .91696569 |
| 2 | 2p | 1.989650 | -1.16767693 |
| 3 | 3p | 4.617448 | -.45345180 |
| 4 | 2p | 10.525769 | .08017410 |
| 5 | 3p | 18.399608 | -.00179001 |
| 6 | 5p | 2.203340 | -.05631821 |
| 7 | 4p | 3.638043 | -.02136565 |
| 8 | 5p | 2.167952 | .00105366 |
| 9 | 5p | 46.565867 | -.00004062 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.474803 | < R2 > | 2.534206 | < 1/R > | .908513 | < 1/R**2 > | 1.818295 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.437585 | .76786749 |
| 2 | 1s | 9.981715 | .18043938 |
| 3 | 2s | 5.339093 | -.73143646 |
| 4 | 3s | 2.825118 | .52711293 |
| 5 | 4s | 5.844458 | .06922344 |
| 6 | 2s | 10.543634 | -.16894008 |
| 7 | 2s | 18.451649 | -.00536772 |
| 8 | 5s | 1.922046 | -.03234270 |
| 9 | 4s | 30.473567 | .00055879 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.343297 | < R2 > | 2.071362 | < 1/R > | 1.016714 | < 1/R**2 > | 6.065130 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 5p | 5.303195 | .00960631 |
| 2 | 2p | 20.013121 | .00691719 |
| 3 | 5p | 15.409075 | -.00705626 |
| 4 | 3p | 48.510639 | .00003735 |
| 5 | 3p | 2.272133 | .00147345 |
| 6 | 2p | 9.897468 | .47265886 |
| 7 | 3p | 8.064393 | .47419759 |
| 8 | 4p | 6.705572 | .14351178 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375294 | < R2 > | .174353 | < 1/R > | 3.450704 | < 1/R**2 > | 16.532786 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.489575 | .38362346 |
| 2 | 2s | 7.544841 | -.80325552 |
| 3 | 3s | 6.939066 | -.26219272 |
| 4 | 4s | 30.430290 | .00159572 |
| 5 | 3s | 17.941859 | .00716094 |
| 6 | 2s | 4.311188 | -.08028247 |
| 7 | 5s | 3.285850 | -.01148284 |
| 8 | 4s | 2.972604 | .01404055 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411772 | < R2 > | .200656 | < 1/R > | 3.559407 | < 1/R**2 > | 52.088229 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580830 | 1.00985992 |
| 2 | 2s | 22.411314 | -.01728735 |
| 3 | 3s | 14.920393 | .01754104 |
| 4 | 4s | 51.132877 | -.00050665 |
| 5 | 4s | 12.552548 | .00288793 |
| 6 | 5s | 60.165199 | .00012283 |
| 7 | 5s | 16.004705 | -.00409521 |
| 8 | 2s | 34.437415 | -.00228503 |
| 9 | 2s | 85.516075 | .00004381 |
| 10 | 5s | 3.801928 | -.00002725 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086097 | < R2 > | .009958 | < 1/R > | 17.554061 | < 1/R**2 > | 621.170799 |
Total Energy= -525.40271754 a.u.
Kinetic Energy= 525.40190531 a.u.
Potential Energy= -1050.80462285 a.u.
Virial Ratio = -2.00000155