(1s 2 2s 2 2p 4 5d 1 ) 2 D Ar 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | 2.583734 | 1.48863788 |
| 2 | 4d | 2.013871 | -5.62889817 |
| 3 | 5d | 2.004459 | 4.92065015 |
| 4 | 3d | 6.710080 | .03211690 |
| 5 | 5d | 10.054396 | -.00902454 |
| 6 | 4d | 21.990896 | .00022389 |
| 7 | 5d | 1.601928 | -.01844454 |
| 8 | 3d | 28.702451 | .00005996 |
| ORB.ENERGY,a.u. | -2.031500 | ||
| NORM | .999997 | < R > | 3.387049 | < R2 > | 13.036727 | < 1/R > | .412970 | < 1/R**2 > | .355471 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.503736 | 1.13268739 |
| 2 | 3p | 7.309802 | -.20791015 |
| 3 | 2p | 13.611711 | .07293047 |
| 4 | 4p | 16.198350 | .01103973 |
| 5 | 5p | 44.436285 | -.00012414 |
| 6 | 5p | 7.195528 | -.00353436 |
| ORB.ENERGY,a.u. | -19.283000 | ||
| NORM | 1.000000 | < R > | .347803 | < R2 > | .147692 | < 1/R > | 3.670750 | < 1/R**2 > | 18.437046 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.180972 | .41522579 |
| 2 | 2s | 7.813022 | -.86220908 |
| 3 | 3s | 7.312226 | -.30209223 |
| 4 | 4s | 14.153832 | .00370787 |
| 5 | 3s | 18.034098 | .01398166 |
| 6 | 5s | 39.780325 | .00051048 |
| 7 | 5s | 7.073551 | -.00433592 |
| 8 | 2s | 99.883441 | .00000491 |
| ORB.ENERGY,a.u. | -20.023000 | ||
| NORM | 1.000000 | < R > | .393097 | < R2 > | .181609 | < 1/R > | 3.731506 | < 1/R**2 > | 56.805320 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.132489 | .91985247 |
| 2 | 1s | 24.600255 | .07653582 |
| 3 | 2s | 11.202814 | .02021925 |
| 4 | 3s | 13.628341 | -.02041998 |
| 5 | 4s | 16.405880 | .00883549 |
| 6 | 5s | 44.035223 | .00072800 |
| 7 | 4s | 106.240987 | -.00002460 |
| ORB.ENERGY,a.u. | -127.520000 |
| NORM | 1.000000 | < R > | .085840 | < R2 > | .009885 | < 1/R > | 17.587536 | < 1/R**2 > | 623.012303 |
Total Energy= -474.97806243 a.u.
Kinetic Energy= 474.94652172 a.u.
Potential Energy= -949.92458415 a.u.
Virial Ratio = -2.00006641