(1s 2 2s 2 2p 6 3s 2 3p 1 3d 1 ) 3 F Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3332.
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 | 2.039658 | 1.13109454 |
| 2 | 4d | 2.228283 | -.29541385 |
| 3 | 3d | 3.860401 | .32155252 |
| 4 | 4d | 4.696428 | -.11711791 |
| 5 | 5d | 7.808420 | -.01685298 |
| 6 | 3d | 10.791536 | .00380201 |
| ORB.ENERGY,a.u. | -1.879200 | ||
| NORM | 1.000000 | < R > | 1.474392 | < R2 > | 2.556105 | < 1/R > | .822226 | < 1/R**2 > | .856071 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.626413 | .35703728 |
| 2 | 2p | 2.141858 | -.29527730 |
| 3 | 3p | 2.694732 | -.72253478 |
| 4 | 2p | 10.608611 | .08624106 |
| 5 | 3p | 19.468885 | -.00177555 |
| 6 | 4p | 5.759015 | -.02763602 |
| 7 | 4p | 2.420574 | -.02815358 |
| 8 | 5p | 4.660079 | -.04303915 |
| 9 | 5p | 103.462648 | .00000418 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.335631 | < R2 > | 2.053798 | < 1/R > | 1.004533 | < 1/R**2 > | 2.209601 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.349007 | -.22955793 |
| 2 | 1s | 13.068737 | .20258612 |
| 3 | 1s | 82.239622 | .00004196 |
| 4 | 2s | 5.986273 | -.33168771 |
| 5 | 3s | 2.792207 | 1.10172649 |
| 6 | 4s | 4.959714 | .12547181 |
| 7 | 3s | 40.736213 | -.00054610 |
| 8 | 5s | 3.311077 | -.09105094 |
| 9 | 4s | 1.917441 | .00122592 |
| 10 | 4s | 129.816656 | -.00000360 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.265410 | < R2 > | 1.823970 | < 1/R > | 1.082852 | < 1/R**2 > | 6.916715 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.427240 | .43573035 |
| 2 | 3p | 8.302351 | .49329779 |
| 3 | 5p | 5.910984 | .01573586 |
| 4 | 4p | 6.961209 | .15794493 |
| 5 | 2p | 23.657518 | .00209245 |
| 6 | 5p | 41.584558 | -.00015559 |
| 7 | 3p | 3.149101 | .00141122 |
| 8 | 4p | 127.545515 | .00000166 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373975 | < R2 > | .172944 | < 1/R > | 3.460171 | < 1/R**2 > | 16.612779 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.423880 | .38757034 |
| 2 | 2s | 7.567770 | -.83444480 |
| 3 | 3s | 6.827369 | -.29885733 |
| 4 | 4s | 30.534226 | .00184832 |
| 5 | 3s | 17.041761 | .00854952 |
| 6 | 4s | 5.696060 | -.01937593 |
| 7 | 4s | 1.075053 | -.00070869 |
| 8 | 5s | 80.646195 | .00001237 |
| 9 | 5s | 1.261593 | .00067258 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .410293 | < R2 > | .199045 | < 1/R > | 3.571787 | < 1/R**2 > | 52.419214 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586468 | 1.00955161 |
| 2 | 2s | 22.919170 | -.01618177 |
| 3 | 3s | 15.919497 | .01519367 |
| 4 | 4s | 32.623963 | -.00071703 |
| 5 | 4s | 11.935470 | .00374146 |
| 6 | 5s | 43.197157 | .00038451 |
| 7 | 5s | 14.129249 | -.00252274 |
| 8 | 2s | 31.113443 | -.00307436 |
| 9 | 2s | 64.163339 | .00012038 |
| 10 | 5s | 2.119523 | -.00000224 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086072 | < R2 > | .009951 | < 1/R > | 17.557521 | < 1/R**2 > | 621.361826 |
Total Energy= -520.77289207 a.u.
Kinetic Energy= 520.87505819 a.u.
Potential Energy= -1041.64795026 a.u.
Virial Ratio = -1.99980386