(1s 2 2s 2 2p 1 3d 1 ) 1 F Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1332.
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 | 4.394461 | .97356368 |
| 2 | 3d | 10.389369 | .01425311 |
| 3 | 4d | 3.724884 | .02969374 |
| 4 | 5d | 29.797426 | -.00013446 |
| 5 | 5d | 3.733075 | -.00934251 |
| ORB.ENERGY,a.u. | -9.444100 | ||
| NORM | 1.000000 | < R > | .797177 | < R2 > | .728401 | < 1/R > | 1.470324 | < 1/R**2 > | 2.613724 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 4p | 5.332709 | -.00213851 |
| 2 | 2p | 7.634729 | 1.08137215 |
| 3 | 3p | 8.960637 | -.09296562 |
| 4 | 2p | 18.606968 | .01188856 |
| 5 | 5p | 23.223777 | .00215587 |
| ORB.ENERGY,a.u. | -26.035000 | ||
| NORM | 1.000000 | < R > | .318579 | < R2 > | .122527 | < 1/R > | 3.955727 | < 1/R**2 > | 21.098252 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.377603 | .38913288 |
| 2 | 2s | 7.024464 | -.81463428 |
| 3 | 3s | 10.045923 | -.28591663 |
| 4 | 4s | 33.133331 | .00120477 |
| 5 | 5s | 19.555520 | -.00812553 |
| 6 | 5s | 7.728298 | .01189496 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .372760 | < R2 > | .162582 | < 1/R > | 3.949617 | < 1/R**2 > | 63.051855 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.207934 | .93982720 |
| 2 | 1s | 26.417070 | .05671999 |
| 3 | 2s | 15.776864 | .01997441 |
| 4 | 3s | 19.314967 | -.01406248 |
| 5 | 4s | 86.075921 | -.00006387 |
| 6 | 5s | 41.240600 | .00059819 |
| 7 | 4s | 8.031679 | .00004195 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085402 | < R2 > | .009763 | < 1/R > | 17.645735 | < 1/R**2 > | 626.225850 |
Total Energy= -414.87198211 a.u.
Kinetic Energy= 414.65331006 a.u.
Potential Energy= -829.52529217 a.u.
Virial Ratio = -2.00052736