(1s 2 2s 2 2p 2 4d 1 ) 2 F Ar 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2342.
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 | 4d- electron | |
| 1 | 3d | 3.415426 | 1.38258017 |
| 2 | 4d | 2.993194 | -1.89523634 |
| 3 | 3d | 7.395638 | .03930447 |
| 4 | 4d | 24.664899 | .00011459 |
| 5 | 5d | 2.631727 | .00760212 |
| 6 | 5d | 10.750026 | -.00927881 |
| 7 | 3d | 29.183196 | .00006930 |
| ORB.ENERGY,a.u. | -4.581900 | ||
| NORM | 1.000000 | < R > | 1.710821 | < R2 > | 3.353682 | < 1/R > | .775437 | < 1/R**2 > | .986035 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.199284 | 1.15494326 |
| 2 | 3p | 8.311093 | -.17533047 |
| 3 | 2p | 16.976892 | .02015166 |
| 4 | 4p | 18.819170 | .00413425 |
| 5 | 5p | 40.155935 | -.00023647 |
| 6 | 5p | 5.476113 | .00200593 |
| 7 | 4p | 6.232460 | -.00767509 |
| ORB.ENERGY,a.u. | -24.363000 | ||
| NORM | 1.000000 | < R > | .328395 | < R2 > | .130707 | < 1/R > | 3.854094 | < 1/R**2 > | 20.124207 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.053975 | .43774396 |
| 2 | 2s | 7.995991 | -.87199423 |
| 3 | 3s | 8.178446 | -.28712598 |
| 4 | 4s | 30.488910 | .00190233 |
| 5 | 3s | 16.566512 | .01636835 |
| 6 | 5s | 8.249235 | -.02059662 |
| ORB.ENERGY,a.u. | -23.662000 | ||
| NORM | 1.000000 | < R > | .378749 | < R2 > | .168001 | < 1/R > | 3.881662 | < 1/R**2 > | 61.077213 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.068188 | .92683622 |
| 2 | 1s | 25.714727 | .07170998 |
| 3 | 2s | 15.773278 | .01936802 |
| 4 | 3s | 19.685848 | -.01555000 |
| 5 | 5s | 42.476605 | .00077855 |
| 6 | 4s | 99.538211 | -.00003386 |
| 7 | 5s | 12.665741 | .00023276 |
| ORB.ENERGY,a.u. | -133.590000 |
| NORM | 1.000000 | < R > | .085562 | < R2 > | .009807 | < 1/R > | 17.624161 | < 1/R**2 > | 625.030385 |
Total Energy= -435.02695813 a.u.
Kinetic Energy= 434.97837776 a.u.
Potential Energy= -870.00533589 a.u.
Virial Ratio = -2.00011168