(1s 2 2s 2 2p 6 3s 2 3p 4 5d 1 ) 4 F Ar +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4352.
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 | .456885 | .65582099 |
| 2 | 4d | .570268 | -1.92548480 |
| 3 | 5d | .447907 | 1.62857360 |
| 4 | 3d | 1.245781 | .15951741 |
| 5 | 3d | 2.178976 | .17063097 |
| 6 | 4d | 2.452965 | -.07227655 |
| 7 | 5d | 6.054304 | .00757997 |
| 8 | 3d | 6.807461 | .00875349 |
| ORB.ENERGY,a.u. | -.285680 | ||
| NORM | .999995 | < R > | 13.596995 | < R2 > | 210.207117 | < 1/R > | .108225 | < 1/R**2 > | .035020 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 3.912610 | .91690400 |
| 2 | 2p | 1.989801 | -1.16768295 |
| 3 | 3p | 4.617682 | -.45344207 |
| 4 | 2p | 10.525380 | .08017391 |
| 5 | 3p | 18.360736 | -.00179665 |
| 6 | 5p | 2.202722 | -.05622015 |
| 7 | 4p | 3.619058 | -.02146867 |
| 8 | 5p | 2.176554 | .00123437 |
| 9 | 5p | 46.817492 | -.00004158 |
| ORB.ENERGY,a.u. | -1.155800 | ||
| NORM | 1.000000 | < R > | 1.474582 | < R2 > | 2.533352 | < 1/R > | .908614 | < 1/R**2 > | 1.818590 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.437545 | .76798980 |
| 2 | 1s | 9.981430 | .18045834 |
| 3 | 2s | 5.338992 | -.73152733 |
| 4 | 3s | 2.825243 | .52720089 |
| 5 | 4s | 5.845758 | .06918346 |
| 6 | 2s | 10.543382 | -.16896915 |
| 7 | 2s | 18.460144 | -.00536359 |
| 8 | 5s | 1.923860 | -.03250836 |
| 9 | 4s | 30.486190 | .00055549 |
| ORB.ENERGY,a.u. | -1.890200 | ||
| NORM | 1.000000 | < R > | 1.343194 | < R2 > | 2.071003 | < 1/R > | 1.016785 | < 1/R**2 > | 6.065962 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 3p | 48.507858 | .00003733 |
| 2 | 3p | 2.277193 | .00146904 |
| 3 | 2p | 9.897472 | .47265831 |
| 4 | 3p | 8.064422 | .47419749 |
| 5 | 4p | 6.705638 | .14351030 |
| 6 | 5p | 5.304493 | .00960291 |
| 7 | 2p | 20.013209 | .00691733 |
| 8 | 5p | 15.409404 | -.00705655 |
| ORB.ENERGY,a.u. | -9.912200 | ||
| NORM | 1.000000 | < R > | .375292 | < R2 > | .174350 | < 1/R > | 3.450712 | < 1/R**2 > | 16.532840 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.489561 | .38362351 |
| 2 | 2s | 7.544840 | -.80325592 |
| 3 | 3s | 6.939041 | -.26219275 |
| 4 | 4s | 30.428497 | .00159582 |
| 5 | 3s | 17.941805 | .00716083 |
| 6 | 2s | 4.311189 | -.08028259 |
| 7 | 5s | 3.285917 | -.01148222 |
| 8 | 4s | 2.972625 | .01404037 |
| ORB.ENERGY,a.u. | -12.611000 | ||
| NORM | 1.000000 | < R > | .411772 | < R2 > | .200656 | < 1/R > | 3.559402 | < 1/R**2 > | 52.088112 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.580827 | 1.00986013 |
| 2 | 2s | 22.411305 | -.01728758 |
| 3 | 3s | 14.920370 | .01754108 |
| 4 | 4s | 51.132663 | -.00050664 |
| 5 | 4s | 12.552581 | .00288792 |
| 6 | 5s | 60.165233 | .00012282 |
| 7 | 5s | 16.004701 | -.00409520 |
| 8 | 2s | 34.437382 | -.00228503 |
| 9 | 2s | 85.515585 | .00004381 |
| 10 | 5s | 3.802753 | -.00002726 |
| ORB.ENERGY,a.u. | -118.470000 |
| NORM | 1.000000 | < R > | .086097 | < R2 > | .009958 | < 1/R > | 17.554060 | < 1/R**2 > | 621.170737 |
Total Energy= -525.40290003 a.u.
Kinetic Energy= 525.40395457 a.u.
Potential Energy= -1050.80685460 a.u.
Virial Ratio = -1.99999799