(1s 2 2s 2 2p 6 3s 2 3p 2 5d 1 ) 4 D Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4252.
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 | 1.610012 | .36529579 |
| 2 | 4d | .987994 | -2.06684801 |
| 3 | 5d | .866788 | 2.26256667 |
| 4 | 3d | 3.280883 | .15626025 |
| 5 | 4d | 4.119277 | -.03271559 |
| 6 | 5d | 12.488345 | .00055769 |
| 7 | 3d | 8.921286 | .00448426 |
| ORB.ENERGY,a.u. | -.576980 | ||
| NORM | 1.000002 | < R > | 7.361051 | < R2 > | 61.325055 | < 1/R > | .190331 | < 1/R**2 > | .086791 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.223130 | .47419949 |
| 2 | 2p | 2.164934 | -.85241810 |
| 3 | 3p | 2.786526 | -.39379845 |
| 4 | 2p | 10.449938 | .09139433 |
| 5 | 4p | 4.434754 | .05874491 |
| 6 | 3p | 17.829065 | -.00226186 |
| 7 | 5p | 1.516060 | .00058413 |
| 8 | 5p | 48.759592 | -.00005051 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.342910 | < R2 > | 2.076664 | < 1/R > | .998566 | < 1/R**2 > | 2.183360 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.157566 | -.40322389 |
| 2 | 1s | 13.005314 | .20707940 |
| 3 | 1s | 68.131344 | .00007432 |
| 4 | 2s | 6.242690 | -.22883207 |
| 5 | 3s | 2.960572 | 1.06008609 |
| 6 | 4s | 5.125111 | .15738616 |
| 7 | 3s | 39.474094 | -.00051870 |
| 8 | 5s | 2.756580 | .03839825 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.269496 | < R2 > | 1.835922 | < 1/R > | 1.079010 | < 1/R**2 > | 6.867150 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.955982 | -.02086950 |
| 2 | 2p | 3.791701 | .06602947 |
| 3 | 2p | 15.937015 | .15452232 |
| 4 | 3p | 12.497717 | .42315298 |
| 5 | 4p | 9.798720 | .39687776 |
| 6 | 5p | 7.871977 | .12840750 |
| 7 | 5p | 17.656896 | -.00508488 |
| 8 | 3p | 44.676293 | .00005820 |
| 9 | 3p | 2.221357 | .01366397 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374412 | < R2 > | .173388 | < 1/R > | 3.456690 | < 1/R**2 > | 16.582068 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.440902 | .38646509 |
| 2 | 2s | 7.560058 | -.82715765 |
| 3 | 3s | 6.830288 | -.28882106 |
| 4 | 4s | 30.521775 | .00180288 |
| 5 | 3s | 17.168594 | .00825878 |
| 6 | 2s | 2.744958 | -.05783616 |
| 7 | 4s | 3.702605 | .02909323 |
| 8 | 5s | 2.738241 | .00122110 |
| 9 | 5s | 79.532192 | .00001077 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410719 | < R2 > | .199488 | < 1/R > | 3.567937 | < 1/R**2 > | 52.314688 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572790 | 1.01064349 |
| 2 | 2s | 23.215805 | -.01614167 |
| 3 | 3s | 14.061694 | .01750683 |
| 4 | 4s | 35.479162 | -.00051507 |
| 5 | 4s | 11.848505 | .00190585 |
| 6 | 5s | 44.518836 | .00039353 |
| 7 | 5s | 15.701653 | -.00471968 |
| 8 | 2s | 30.298692 | -.00325168 |
| 9 | 2s | 68.222873 | .00008503 |
| 10 | 5s | 3.519438 | -.00001127 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086084 | < R2 > | .009954 | < 1/R > | 17.555843 | < 1/R**2 > | 621.268634 |
Total Energy= -522.08328607 a.u.
Kinetic Energy= 522.08165539 a.u.
Potential Energy= -1044.16494145 a.u.
Virial Ratio = -2.00000312