(1s 2 2s 2 2p 6 3s 2 3p 1 5d 1 ) 1 F Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1352.
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 | 2.165746 | .45725430 |
| 2 | 4d | 1.201581 | -2.45509700 |
| 3 | 5d | 1.039986 | 2.38246881 |
| 4 | 3d | 4.954680 | .08999738 |
| 5 | 4d | 7.024618 | -.02257224 |
| 6 | 5d | 2.030100 | .29910551 |
| 7 | 3d | .460738 | -.00362482 |
| 8 | 4d | 77.773970 | .00000083 |
| ORB.ENERGY,a.u. | -.551920 | ||
| NORM | .999999 | < R > | 6.152261 | < R2 > | 43.238339 | < 1/R > | .238473 | < 1/R**2 > | .140035 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.458622 | .38609238 |
| 2 | 2p | 2.228595 | -.33549260 |
| 3 | 3p | 2.822142 | -.80645572 |
| 4 | 2p | 10.094482 | .10532192 |
| 5 | 3p | 12.673557 | -.00714847 |
| 6 | 4p | 54.619162 | -.00010036 |
| 7 | 4p | 4.051498 | .00908410 |
| 8 | 5p | 37.097132 | -.00046141 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.298335 | < R2 > | 1.936297 | < 1/R > | 1.035752 | < 1/R**2 > | 2.347471 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.077916 | -.24823921 |
| 2 | 1s | 13.092621 | .20572904 |
| 3 | 1s | 75.931126 | .00005412 |
| 4 | 2s | 6.037632 | -.33538902 |
| 5 | 3s | 2.865598 | 1.11546783 |
| 6 | 4s | 4.882374 | .12872812 |
| 7 | 3s | 40.716799 | -.00052004 |
| 8 | 5s | 3.227022 | -.09552431 |
| 9 | 2s | 2.482434 | -.00001526 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.236126 | < R2 > | 1.736141 | < 1/R > | 1.110908 | < 1/R**2 > | 7.298529 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.422809 | .43610537 |
| 2 | 3p | 8.302243 | .49277358 |
| 3 | 5p | 5.953837 | .01539584 |
| 4 | 4p | 6.975879 | .15774470 |
| 5 | 2p | 23.577627 | .00213114 |
| 6 | 5p | 41.908932 | -.00015237 |
| 7 | 3p | 3.055141 | .00168275 |
| 8 | 4p | 128.853794 | .00000145 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373773 | < R2 > | .172705 | < 1/R > | 3.461164 | < 1/R**2 > | 16.619255 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.330885 | .39159359 |
| 2 | 2s | 7.642701 | -.82731043 |
| 3 | 3s | 7.016757 | -.29744104 |
| 4 | 4s | 26.111586 | .00365524 |
| 5 | 3s | 13.058983 | .01103417 |
| 6 | 4s | 6.254747 | -.03855448 |
| 7 | 5s | 4.114847 | -.00030099 |
| 8 | 4s | 36.785117 | .00056159 |
| 9 | 2s | 47.810847 | -.00008976 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .409959 | < R2 > | .198654 | < 1/R > | 3.574176 | < 1/R**2 > | 52.480751 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586226 | 1.00955529 |
| 2 | 2s | 22.928552 | -.01618629 |
| 3 | 3s | 15.912377 | .01520108 |
| 4 | 4s | 32.622615 | -.00071719 |
| 5 | 4s | 11.941402 | .00373860 |
| 6 | 5s | 43.222462 | .00038416 |
| 7 | 5s | 14.124939 | -.00252323 |
| 8 | 2s | 31.102742 | -.00307251 |
| 9 | 2s | 64.114608 | .00012048 |
| 10 | 5s | 2.507569 | -.00000285 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086074 | < R2 > | .009951 | < 1/R > | 17.557207 | < 1/R**2 > | 621.343867 |
Total Energy= -519.55829867 a.u.
Kinetic Energy= 519.54551439 a.u.
Potential Energy= -1039.10381305 a.u.
Virial Ratio = -2.00002461