(1s 2 2s 2 2p 6 3s 2 5d 1 ) 2 D Ar 5+
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 | 1.998581 | .66572195 |
| 2 | 4d | 1.288680 | -3.64906356 |
| 3 | 5d | 1.263763 | 3.65021410 |
| 4 | 3d | 4.355023 | .14105602 |
| 5 | 4d | 5.846855 | -.04179058 |
| 6 | 5d | 16.908546 | .00061927 |
| 7 | 3d | 14.756144 | .00049763 |
| ORB.ENERGY,a.u. | -.785710 | ||
| NORM | 1.000000 | < R > | 5.226018 | < R2 > | 31.037570 | < 1/R > | .271740 | < 1/R**2 > | .168784 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 2.352025 | -.40686273 |
| 2 | 1s | 13.294006 | .19318195 |
| 3 | 1s | 35.751722 | .00044686 |
| 4 | 2s | 6.396975 | -.32622241 |
| 5 | 3s | 3.116398 | 1.18610727 |
| 6 | 4s | 4.659648 | .16581022 |
| 7 | 5s | 36.562398 | .00048302 |
| 8 | 5s | 2.658351 | .00328794 |
| ORB.ENERGY,a.u. | -4.109000 | ||
| NORM | 1.000000 | < R > | 1.204129 | < R2 > | 1.643970 | < 1/R > | 1.143795 | < 1/R**2 > | 7.756147 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.481338 | .43248325 |
| 2 | 3p | 8.326629 | .49902672 |
| 3 | 5p | 5.604470 | .00868786 |
| 4 | 4p | 6.893164 | .16258362 |
| 5 | 2p | 24.599457 | .00175383 |
| 6 | 5p | 39.378050 | -.00016379 |
| 7 | 4p | 103.639444 | .00000358 |
| ORB.ENERGY,a.u. | -12.934000 | ||
| NORM | 1.000000 | < R > | .372826 | < R2 > | .171674 | < 1/R > | 3.467540 | < 1/R**2 > | 16.671445 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.352561 | .39150710 |
| 2 | 2s | 7.615372 | -.83405882 |
| 3 | 3s | 6.783381 | -.30148897 |
| 4 | 4s | 29.871915 | .00341685 |
| 5 | 3s | 15.229580 | .01020800 |
| 6 | 2s | 3.638688 | -.02335698 |
| 7 | 4s | 3.583365 | .00683421 |
| 8 | 5s | 38.416852 | -.00052544 |
| 9 | 5s | 3.573228 | -.00229820 |
| 10 | 2s | 75.069157 | -.00000861 |
| ORB.ENERGY,a.u. | -15.566000 | ||
| NORM | 1.000000 | < R > | .409049 | < R2 > | .197660 | < 1/R > | 3.581665 | < 1/R**2 > | 52.680296 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586363 | 1.00962474 |
| 2 | 2s | 23.179960 | -.01667734 |
| 3 | 3s | 16.318398 | .01507776 |
| 4 | 4s | 26.273457 | -.00077663 |
| 5 | 4s | 12.467035 | .00421134 |
| 6 | 5s | 44.128432 | .00035468 |
| 7 | 5s | 14.356940 | -.00246160 |
| 8 | 2s | 28.293489 | -.00295049 |
| 9 | 2s | 71.650827 | .00005467 |
| 10 | 5s | 8.299189 | .00007743 |
| ORB.ENERGY,a.u. | -121.640000 |
| NORM | 1.000000 | < R > | .086062 | < R2 > | .009948 | < 1/R > | 17.558798 | < 1/R**2 > | 621.431669 |
Total Energy= -516.46903508 a.u.
Kinetic Energy= 516.46729718 a.u.
Potential Energy= -1032.93633227 a.u.
Virial Ratio = -2.00000336