(1s 2 2s 2 2p 6 3s 2 3p 1 5d 1 ) 3 F Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3352.
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 | 1.822906 | .49879956 |
| 2 | 4d | 1.195505 | -2.35973389 |
| 3 | 5d | 1.061866 | 2.45058979 |
| 4 | 3d | 3.873881 | .16131482 |
| 5 | 4d | 5.267323 | -.04522582 |
| 6 | 5d | 17.068680 | .00132119 |
| 7 | 3d | 21.560110 | .00016548 |
| 8 | 4d | .655578 | -.00466178 |
| 9 | 5d | 31.825780 | .00011884 |
| ORB.ENERGY,a.u. | -.564300 | ||
| NORM | 1.000001 | < R > | 6.066217 | < R2 > | 41.700285 | < 1/R > | .231713 | < 1/R**2 > | .124535 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 3p | 1.581824 | -.01681354 |
| 2 | 2p | 5.299605 | .39901014 |
| 3 | 2p | 2.589895 | -.28290326 |
| 4 | 3p | 2.906772 | -.75823857 |
| 5 | 2p | 9.879056 | .11769961 |
| 6 | 3p | 18.565123 | -.00339254 |
| 7 | 4p | 23.084003 | -.00097243 |
| 8 | 4p | 2.760862 | -.11741066 |
| 9 | 5p | 16.930725 | -.00479353 |
| 10 | 5p | 1.633608 | .00482970 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.293982 | < R2 > | 1.923640 | < 1/R > | 1.039851 | < 1/R**2 > | 2.365898 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.075204 | -.24845688 |
| 2 | 1s | 13.093080 | .20578100 |
| 3 | 1s | 75.988172 | .00005401 |
| 4 | 2s | 6.037638 | -.33550012 |
| 5 | 3s | 2.867176 | 1.11574637 |
| 6 | 4s | 4.878412 | .12878452 |
| 7 | 3s | 40.723916 | -.00052023 |
| 8 | 5s | 3.231169 | -.09558662 |
| 9 | 2s | 4.578787 | -.00007974 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.235751 | < R2 > | 1.735073 | < 1/R > | 1.111307 | < 1/R**2 > | 7.304202 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.421760 | .43620217 |
| 2 | 3p | 8.302259 | .49265938 |
| 3 | 5p | 5.966105 | .01532908 |
| 4 | 4p | 6.977120 | .15770423 |
| 5 | 2p | 23.578854 | .00213499 |
| 6 | 5p | 41.791268 | -.00014965 |
| 7 | 3p | 3.150939 | .00166065 |
| 8 | 4p | 124.668354 | .00000172 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373732 | < R2 > | .172653 | < 1/R > | 3.461368 | < 1/R**2 > | 16.620692 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.330762 | .39159732 |
| 2 | 2s | 7.642696 | -.82731372 |
| 3 | 3s | 7.016693 | -.29744221 |
| 4 | 4s | 26.099406 | .00365675 |
| 5 | 3s | 13.059260 | .01103443 |
| 6 | 4s | 6.256095 | -.03854801 |
| 7 | 5s | 4.123491 | -.00029788 |
| 8 | 4s | 36.797835 | .00056190 |
| 9 | 2s | 47.695057 | -.00009050 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .409958 | < R2 > | .198652 | < 1/R > | 3.574169 | < 1/R**2 > | 52.480469 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586199 | 1.00955588 |
| 2 | 2s | 22.929619 | -.01618698 |
| 3 | 3s | 15.911539 | .01520193 |
| 4 | 4s | 32.623225 | -.00071722 |
| 5 | 4s | 11.942008 | .00373830 |
| 6 | 5s | 43.223030 | .00038413 |
| 7 | 5s | 14.124543 | -.00252329 |
| 8 | 2s | 31.101384 | -.00307226 |
| 9 | 2s | 64.108665 | .00012050 |
| 10 | 5s | 2.555066 | -.00000293 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086074 | < R2 > | .009952 | < 1/R > | 17.557174 | < 1/R**2 > | 621.342018 |
Total Energy= -519.55746965 a.u.
Kinetic Energy= 519.55779584 a.u.
Potential Energy= -1039.11526549 a.u.
Virial Ratio = -1.99999937