(1s 2 2s 2 2p 6 3s 2 5s 1 ) 2 S Ar 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2050.
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 | 5s- electron | |
| 1 | 1s | 14.272248 | .05041579 |
| 2 | 2s | 5.864165 | -.21247877 |
| 3 | 3s | 2.748760 | .77474009 |
| 4 | 4s | 1.706849 | -2.46440982 |
| 5 | 5s | 1.480370 | 2.34785926 |
| 6 | 5s | 32.847015 | .00029066 |
| 7 | 4s | 19.411936 | -.00141269 |
| 8 | 2s | .832782 | .11025612 |
| 9 | 3s | 19.673741 | .00055434 |
| 10 | 3s | .525454 | -.00173034 |
| ORB.ENERGY,a.u. | -1.017200 | ||
| NORM | .999998 | < R > | 4.466087 | < R2 > | 22.263823 | < 1/R > | .310273 | < 1/R**2 > | .918060 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.723478 | 2.88313015 |
| 2 | 1s | 21.281230 | .01512641 |
| 3 | 2s | 6.696002 | -1.51136399 |
| 4 | 3s | 2.132393 | -.60630745 |
| 5 | 4s | 5.842247 | -.62119268 |
| 6 | 5s | 9.288365 | -.11682426 |
| 7 | 4s | 1.304106 | -.00273652 |
| 8 | 3s | 53.964425 | -.00008552 |
| 9 | 4s | 96.908837 | .00001318 |
| ORB.ENERGY,a.u. | -4.109000 | ||
| NORM | .999999 | < R > | 1.202550 | < R2 > | 1.639761 | < 1/R > | 1.145792 | < 1/R**2 > | 7.787117 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.480970 | .43242527 |
| 2 | 3p | 8.326480 | .49905302 |
| 3 | 5p | 5.605027 | .00867189 |
| 4 | 4p | 6.894424 | .16259199 |
| 5 | 2p | 24.600290 | .00175659 |
| 6 | 5p | 39.212878 | -.00016326 |
| 7 | 4p | 103.882931 | .00000372 |
| ORB.ENERGY,a.u. | -12.934000 | ||
| NORM | 1.000000 | < R > | .372835 | < R2 > | .171676 | < 1/R > | 3.467356 | < 1/R**2 > | 16.669342 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.347576 | .39176863 |
| 2 | 2s | 7.616485 | -.83410453 |
| 3 | 3s | 6.781026 | -.30129885 |
| 4 | 4s | 29.938972 | .00307623 |
| 5 | 3s | 15.287846 | .01040112 |
| 6 | 2s | 3.902363 | -.02178070 |
| 7 | 4s | 3.537922 | .00320090 |
| 8 | 5s | 38.936226 | -.00036325 |
| 9 | 5s | 3.291696 | -.00085141 |
| 10 | 2s | 60.061217 | -.00001747 |
| ORB.ENERGY,a.u. | -15.566000 | ||
| NORM | 1.000000 | < R > | .408990 | < R2 > | .197597 | < 1/R > | 3.582185 | < 1/R**2 > | 52.694804 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586276 | 1.00962582 |
| 2 | 2s | 23.182259 | -.01667850 |
| 3 | 3s | 16.316213 | .01507981 |
| 4 | 4s | 26.272053 | -.00077670 |
| 5 | 4s | 12.467746 | .00421106 |
| 6 | 5s | 44.173258 | .00035456 |
| 7 | 5s | 14.354938 | -.00246182 |
| 8 | 2s | 28.291163 | -.00295032 |
| 9 | 2s | 71.619604 | .00005470 |
| 10 | 5s | 8.313155 | .00007765 |
| ORB.ENERGY,a.u. | -121.640000 |
| NORM | 1.000000 | < R > | .086063 | < R2 > | .009948 | < 1/R > | 17.558692 | < 1/R**2 > | 621.425248 |
Total Energy= -516.69662320 a.u.
Kinetic Energy= 516.69663176 a.u.
Potential Energy= -1033.39325497 a.u.
Virial Ratio = -1.99999998