(1s 2 2s 2 2p 1 5d 1 ) 1 F Ar 12+
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 | 2.578838 | 3.61423418 |
| 2 | 4d | 2.602636 | -9.06181961 |
| 3 | 5d | 2.617240 | 6.11424167 |
| 4 | 3d | 7.626975 | .02394963 |
| 5 | 5d | 1.948297 | .02170715 |
| 6 | 5d | 11.370318 | -.00689041 |
| 7 | 4d | 33.203136 | .00006419 |
| 8 | 4d | 1.431532 | -.00581541 |
| 9 | 3d | 41.081041 | .00001524 |
| ORB.ENERGY,a.u. | -3.402700 | ||
| NORM | 1.000002 | < R > | 2.632061 | < R2 > | 7.867538 | < 1/R > | .528522 | < 1/R**2 > | .571165 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.623905 | 1.08154207 |
| 2 | 3p | 9.085767 | -.09390017 |
| 3 | 2p | 18.593061 | .01167716 |
| 4 | 5p | 23.207762 | .00224081 |
| 5 | 5p | 5.195826 | .00116037 |
| 6 | 3p | 2.091012 | -.00040509 |
| ORB.ENERGY,a.u. | -27.149000 | ||
| NORM | 1.000000 | < R > | .320056 | < R2 > | .123814 | < 1/R > | 3.941514 | < 1/R**2 > | 20.966002 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.363610 | .39090180 |
| 2 | 2s | 7.038711 | -.81741247 |
| 3 | 3s | 10.020714 | -.28768502 |
| 4 | 4s | 33.005246 | .00124121 |
| 5 | 5s | 19.635386 | -.00792110 |
| 6 | 5s | 7.818570 | .01723085 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .371526 | < R2 > | .161388 | < 1/R > | 3.962439 | < 1/R**2 > | 63.424854 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.206135 | .93974678 |
| 2 | 1s | 26.443394 | .05676114 |
| 3 | 2s | 15.902081 | .01999913 |
| 4 | 3s | 19.414033 | -.01407534 |
| 5 | 4s | 86.473515 | -.00006223 |
| 6 | 5s | 41.306433 | .00061221 |
| 7 | 4s | 8.619377 | .00004385 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085399 | < R2 > | .009762 | < 1/R > | 17.645990 | < 1/R**2 > | 626.239001 |
Total Energy= -408.65477088 a.u.
Kinetic Energy= 408.61337699 a.u.
Potential Energy= -817.26814787 a.u.
Virial Ratio = -2.00010130