(1s 2 2s 2 2p 6 3s 2 3p 1 5d 1 ) 3 P Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3152.
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 | 1.719227 | .54775716 |
| 2 | 4d | 1.187487 | -2.44440820 |
| 3 | 5d | 1.051838 | 2.47526936 |
| 4 | 3d | 3.729635 | .17268845 |
| 5 | 4d | 4.919456 | -.04534945 |
| 6 | 5d | 15.426557 | .00181193 |
| 7 | 3d | 15.207466 | .00066589 |
| 8 | 4d | .637677 | -.00500702 |
| 9 | 5d | 29.702428 | .00009179 |
| ORB.ENERGY,a.u. | -.557460 | ||
| NORM | 1.000003 | < R > | 6.126296 | < R2 > | 42.608013 | < 1/R > | .231722 | < 1/R**2 > | .126593 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.700486 | .38447795 |
| 2 | 2p | 2.312277 | -.30157640 |
| 3 | 3p | 2.792906 | -.76100754 |
| 4 | 2p | 10.711299 | .08366226 |
| 5 | 3p | 18.433118 | -.00170416 |
| 6 | 4p | 34.432526 | -.00014219 |
| 7 | 4p | 2.511828 | -.01815892 |
| 8 | 5p | 4.521608 | -.04076872 |
| 9 | 5p | 1.325643 | .00033190 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.294459 | < R2 > | 1.924995 | < 1/R > | 1.039406 | < 1/R**2 > | 2.363992 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.075798 | -.24842656 |
| 2 | 1s | 13.092689 | .20578031 |
| 3 | 1s | 75.818498 | .00005436 |
| 4 | 2s | 6.037747 | -.33549376 |
| 5 | 3s | 2.866846 | 1.11572278 |
| 6 | 4s | 4.879140 | .12877509 |
| 7 | 3s | 40.703693 | -.00052011 |
| 8 | 5s | 3.229848 | -.09558648 |
| 9 | 2s | 2.831923 | -.00007728 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.235812 | < R2 > | 1.735241 | < 1/R > | 1.111239 | < 1/R**2 > | 7.303218 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 3p | 3.123489 | .00166693 |
| 2 | 4p | 125.757617 | .00000164 |
| 3 | 2p | 10.422026 | .43617770 |
| 4 | 3p | 8.302228 | .49268886 |
| 5 | 5p | 5.962285 | .01534743 |
| 6 | 4p | 6.976840 | .15771530 |
| 7 | 2p | 23.578725 | .00213384 |
| 8 | 5p | 41.825910 | -.00015042 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373743 | < R2 > | .172668 | < 1/R > | 3.461310 | < 1/R**2 > | 16.620276 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.330787 | .39159668 |
| 2 | 2s | 7.642700 | -.82731303 |
| 3 | 3s | 7.016712 | -.29744214 |
| 4 | 4s | 26.101522 | .00365674 |
| 5 | 3s | 13.059301 | .01103429 |
| 6 | 4s | 6.255824 | -.03854912 |
| 7 | 5s | 4.119433 | -.00029931 |
| 8 | 4s | 36.796394 | .00056181 |
| 9 | 2s | 47.720408 | -.00009033 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .409958 | < R2 > | .198652 | < 1/R > | 3.574171 | < 1/R**2 > | 52.480558 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586203 | 1.00955588 |
| 2 | 2s | 22.929404 | -.01618697 |
| 3 | 3s | 15.911694 | .01520177 |
| 4 | 4s | 32.623163 | -.00071721 |
| 5 | 4s | 11.941910 | .00373835 |
| 6 | 5s | 43.223022 | .00038414 |
| 7 | 5s | 14.124603 | -.00252328 |
| 8 | 2s | 31.101633 | -.00307231 |
| 9 | 2s | 64.109619 | .00012050 |
| 10 | 5s | 2.548075 | -.00000292 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086074 | < R2 > | .009952 | < 1/R > | 17.557181 | < 1/R**2 > | 621.342376 |
Total Energy= -519.55725366 a.u.
Kinetic Energy= 519.55098860 a.u.
Potential Energy= -1039.10824226 a.u.
Virial Ratio = -2.00001206