(1s 2 2s 2 2p 6 3s 2 3p 2 4d 1 ) 2 P Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2142.
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 | 4d- electron | |
| 1 | 3d | 1.505418 | .57833435 |
| 2 | 4d | 1.329772 | -.79996945 |
| 3 | 3d | 2.868139 | .40699484 |
| 4 | 4d | 4.477375 | -.07019842 |
| 5 | 5d | 3.791456 | -.11588743 |
| 6 | 5d | 1.190921 | -.57679725 |
| 7 | 3d | 8.417708 | .00800323 |
| ORB.ENERGY,a.u. | -.820010 | ||
| NORM | 1.000000 | < R > | 4.166677 | < R2 > | 19.907924 | < 1/R > | .328805 | < 1/R**2 > | .205756 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.219916 | .46848025 |
| 2 | 2p | 2.148625 | -.85043773 |
| 3 | 3p | 2.764292 | -.39204907 |
| 4 | 2p | 10.443009 | .09132701 |
| 5 | 4p | 4.310282 | .05800985 |
| 6 | 3p | 17.922337 | -.00222846 |
| 7 | 5p | 1.646479 | .00087692 |
| 8 | 5p | 48.487455 | -.00004731 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.349728 | < R2 > | 2.098472 | < 1/R > | .993182 | < 1/R**2 > | 2.160477 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.188841 | -.39894711 |
| 2 | 1s | 13.007351 | .20674500 |
| 3 | 1s | 69.546969 | .00006934 |
| 4 | 2s | 6.223291 | -.22827779 |
| 5 | 3s | 2.947232 | 1.05811814 |
| 6 | 4s | 5.150839 | .15653332 |
| 7 | 3s | 39.734520 | -.00051497 |
| 8 | 5s | 2.714069 | .03666176 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.272798 | < R2 > | 1.845934 | < 1/R > | 1.075905 | < 1/R**2 > | 6.825204 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.900615 | -.02127140 |
| 2 | 2p | 3.782624 | .06586795 |
| 3 | 2p | 15.936754 | .15452887 |
| 4 | 3p | 12.497793 | .42314366 |
| 5 | 4p | 9.798763 | .39686855 |
| 6 | 5p | 7.871482 | .12843334 |
| 7 | 5p | 17.655916 | -.00507354 |
| 8 | 3p | 44.668125 | .00005812 |
| 9 | 3p | 2.177175 | .01437168 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374473 | < R2 > | .173461 | < 1/R > | 3.456388 | < 1/R**2 > | 16.580001 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.440527 | .38645367 |
| 2 | 2s | 7.560288 | -.82715594 |
| 3 | 3s | 6.829149 | -.28884033 |
| 4 | 4s | 30.479402 | .00178871 |
| 5 | 3s | 17.199723 | .00825063 |
| 6 | 2s | 2.735086 | -.05801932 |
| 7 | 4s | 3.691864 | .02923127 |
| 8 | 5s | 2.749463 | .00125817 |
| 9 | 5s | 75.651543 | .00001166 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410758 | < R2 > | .199535 | < 1/R > | 3.567671 | < 1/R**2 > | 52.307904 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572847 | 1.01064267 |
| 2 | 2s | 23.213219 | -.01614061 |
| 3 | 3s | 14.063370 | .01750418 |
| 4 | 4s | 35.476151 | -.00051501 |
| 5 | 4s | 11.843091 | .00190725 |
| 6 | 5s | 44.518232 | .00039365 |
| 7 | 5s | 15.702677 | -.00471944 |
| 8 | 2s | 30.302009 | -.00325218 |
| 9 | 2s | 68.241560 | .00008498 |
| 10 | 5s | 3.534892 | -.00001108 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086083 | < R2 > | .009954 | < 1/R > | 17.555919 | < 1/R**2 > | 621.272970 |
Total Energy= -522.31948706 a.u.
Kinetic Energy= 522.32499481 a.u.
Potential Energy= -1044.64448187 a.u.
Virial Ratio = -1.99998946