(1s 2 2s 2 2p 6 3s 2 3p 3 3d 1 ) 5 D Ar 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 5232.
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 | 3d- electron | |
| 1 | 3d | 1.058853 | .75389667 |
| 2 | 4d | 1.151972 | -.42976465 |
| 3 | 3d | 2.121660 | 1.56495854 |
| 4 | 4d | 2.566743 | -1.19483286 |
| 5 | 5d | 3.007128 | .31340699 |
| 6 | 3d | 7.790911 | .01871730 |
| 7 | 4d | 42.669628 | .00000956 |
| ORB.ENERGY,a.u. | -.817550 | ||
| NORM | 1.000000 | < R > | 1.849110 | < R2 > | 4.135026 | < 1/R > | .676995 | < 1/R**2 > | .601342 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 6.314388 | .57929982 |
| 2 | 3p | 24.075466 | -.00038472 |
| 3 | 2p | 1.943334 | -1.35370991 |
| 4 | 3p | 9.987184 | -.08796663 |
| 5 | 4p | 5.468744 | .12332067 |
| 6 | 5p | 11.231689 | -.01915739 |
| 7 | 3p | 2.291931 | .13895293 |
| 8 | 4p | 1.456539 | -.00175773 |
| 9 | 4p | 71.318329 | .00000920 |
| ORB.ENERGY,a.u. | -1.438900 | ||
| NORM | 1.000000 | < R > | 1.445889 | < R2 > | 2.427282 | < 1/R > | .924213 | < 1/R**2 > | 1.871832 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.457296 | .55769846 |
| 2 | 1s | 14.120890 | .11483062 |
| 3 | 2s | 5.289532 | -.62246167 |
| 4 | 3s | 2.785412 | .64481014 |
| 5 | 4s | 5.359215 | .10204648 |
| 6 | 2s | 8.893009 | -.11834397 |
| 7 | 4s | 27.210818 | .00115950 |
| 8 | 2s | 34.476219 | -.00016258 |
| 9 | 5s | 1.755509 | -.01441299 |
| 10 | 4s | .983297 | .00083696 |
| ORB.ENERGY,a.u. | -2.244300 | ||
| NORM | 1.000000 | < R > | 1.333681 | < R2 > | 2.040526 | < 1/R > | 1.024591 | < 1/R**2 > | 6.163727 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.811482 | .46403927 |
| 2 | 3p | 8.132854 | .46776453 |
| 3 | 4p | 6.742385 | .15205663 |
| 4 | 5p | 5.216903 | .00871107 |
| 5 | 2p | 16.543130 | .01661993 |
| 6 | 5p | 14.564249 | -.00784429 |
| 7 | 4p | 60.847231 | .00002787 |
| 8 | 3p | 2.790419 | .00032584 |
| 9 | 3p | 22.994429 | -.00108989 |
| 10 | 2p | 133.449619 | -.00000068 |
| ORB.ENERGY,a.u. | -10.577000 | ||
| NORM | 1.000000 | < R > | .374772 | < R2 > | .173773 | < 1/R > | 3.454277 | < 1/R**2 > | 16.562689 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.537050 | .38208026 |
| 2 | 2s | 7.407202 | -.76646396 |
| 3 | 3s | 7.188108 | -.15753586 |
| 4 | 3s | 18.603479 | .00587352 |
| 5 | 2s | 5.256431 | -.19925133 |
| 6 | 4s | 30.069158 | .00166896 |
| 7 | 5s | 7.283309 | -.00776060 |
| 8 | 4s | 3.257744 | -.00114724 |
| ORB.ENERGY,a.u. | -13.305000 | ||
| NORM | 1.000000 | < R > | .411415 | < R2 > | .200276 | < 1/R > | 3.562520 | < 1/R**2 > | 52.172219 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.581580 | 1.00985557 |
| 2 | 2s | 22.350106 | -.01728322 |
| 3 | 3s | 14.957059 | .01749223 |
| 4 | 4s | 51.827746 | -.00051460 |
| 5 | 4s | 12.517276 | .00290683 |
| 6 | 5s | 61.885426 | .00011567 |
| 7 | 5s | 16.009379 | -.00406920 |
| 8 | 2s | 34.532936 | -.00228748 |
| 9 | 2s | 87.190348 | .00004071 |
| 10 | 5s | 3.247692 | -.00001643 |
| ORB.ENERGY,a.u. | -119.190000 |
| NORM | 1.000000 | < R > | .086089 | < R2 > | .009956 | < 1/R > | 17.555226 | < 1/R**2 > | 621.235407 |
Total Energy= -524.59678892 a.u.
Kinetic Energy= 524.68501716 a.u.
Potential Energy= -1049.28180608 a.u.
Virial Ratio = -1.99983185