(1s 2 2s 1 5d 1 ) 3 D Ar 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 2.968450 | 3.55683375 |
| 2 | 4d | 3.001923 | -9.00417907 |
| 3 | 5d | 3.021182 | 6.08966477 |
| 4 | 3d | 6.153358 | .02774978 |
| 5 | 5d | 44.821425 | .00000602 |
| 6 | 5d | 2.611663 | .02455685 |
| 7 | 4d | 13.104783 | .00349199 |
| 8 | 3d | 21.075251 | .00042113 |
| ORB.ENERGY,a.u. | -4.539500 | ||
| NORM | 1.000000 | < R > | 2.280142 | < R2 > | 5.897018 | < 1/R > | .606263 | < 1/R**2 > | .741975 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.552833 | .44221943 |
| 2 | 2s | 7.946810 | -.82223568 |
| 3 | 3s | 9.442801 | -.30679205 |
| 4 | 5s | 16.035543 | -.01756048 |
| 5 | 4s | 31.309406 | .00545234 |
| 6 | 5s | 41.197667 | -.00137921 |
| 7 | 4s | 107.466250 | .00001900 |
| ORB.ENERGY,a.u. | -33.162000 | ||
| NORM | 1.000000 | < R > | .358654 | < R2 > | .150012 | < 1/R > | 4.124508 | < 1/R**2 > | 68.485986 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.363334 | .93834394 |
| 2 | 1s | 27.350308 | .04903257 |
| 3 | 2s | 22.000871 | .01685688 |
| 4 | 3s | 12.007538 | .00101972 |
| 5 | 4s | 72.894359 | -.00039120 |
| 6 | 5s | 97.702295 | .00014326 |
| 7 | 5s | 8.187172 | .00005339 |
| ORB.ENERGY,a.u. | -144.680000 |
| NORM | 1.000000 | < R > | .085202 | < R2 > | .009710 | < 1/R > | 17.674548 | < 1/R**2 > | 627.877833 |
Total Energy= -351.04436239 a.u.
Kinetic Energy= 350.98339042 a.u.
Potential Energy= -702.02775281 a.u.
Virial Ratio = -2.00017372