(1s 2 2s 2 2p 6 3s 2 3p 2 4d 1 ) 2 D Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | 1.389080 | .71237089 |
| 2 | 4d | 1.222422 | -.83749380 |
| 3 | 3d | 2.896820 | .40347775 |
| 4 | 4d | 4.257465 | -.07271004 |
| 5 | 5d | 3.778899 | -.11988085 |
| 6 | 5d | 1.125473 | -.58217093 |
| 7 | 3d | 8.452614 | .00860307 |
| ORB.ENERGY,a.u. | -.773910 | ||
| NORM | 1.000000 | < R > | 4.395137 | < R2 > | 22.599712 | < 1/R > | .331810 | < 1/R**2 > | .221114 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.216213 | .46823509 |
| 2 | 2p | 2.139488 | -.85473829 |
| 3 | 3p | 2.761109 | -.39383933 |
| 4 | 2p | 10.457750 | .09086354 |
| 5 | 4p | 4.170280 | .06464460 |
| 6 | 3p | 18.215745 | -.00212607 |
| 7 | 5p | 1.038547 | -.00018679 |
| 8 | 5p | 47.421223 | -.00004147 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.353726 | < R2 > | 2.112317 | < 1/R > | .990893 | < 1/R**2 > | 2.153237 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 2s | 6.266434 | -.22654978 |
| 2 | 3s | 2.947221 | 1.05041974 |
| 3 | 4s | 5.116040 | .16279471 |
| 4 | 3s | 39.514463 | -.00051790 |
| 5 | 5s | 2.766902 | .04133757 |
| 6 | 1s | 3.151783 | -.40129205 |
| 7 | 1s | 13.007143 | .20601796 |
| 8 | 1s | 68.518596 | .00007283 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.273773 | < R2 > | 1.848883 | < 1/R > | 1.075009 | < 1/R**2 > | 6.813319 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.923927 | -.02078359 |
| 2 | 2p | 3.783776 | .06585708 |
| 3 | 2p | 15.936899 | .15451224 |
| 4 | 3p | 12.497782 | .42310720 |
| 5 | 4p | 9.798864 | .39684137 |
| 6 | 5p | 7.870659 | .12843012 |
| 7 | 5p | 17.647386 | -.00508771 |
| 8 | 3p | 44.584482 | .00005841 |
| 9 | 3p | 2.202274 | .01418833 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374543 | < R2 > | .173552 | < 1/R > | 3.456047 | < 1/R**2 > | 16.577593 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.440761 | .38645014 |
| 2 | 2s | 7.560311 | -.82715104 |
| 3 | 3s | 6.829314 | -.28883658 |
| 4 | 4s | 30.517367 | .00178856 |
| 5 | 3s | 17.204348 | .00824903 |
| 6 | 2s | 2.734585 | -.05802708 |
| 7 | 4s | 3.692338 | .02922423 |
| 8 | 5s | 2.748863 | .00126245 |
| 9 | 5s | 79.310349 | .00001059 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410755 | < R2 > | .199533 | < 1/R > | 3.567716 | < 1/R**2 > | 52.309226 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572874 | 1.01064218 |
| 2 | 2s | 23.211979 | -.01614001 |
| 3 | 3s | 14.064223 | .01750297 |
| 4 | 4s | 35.474946 | -.00051499 |
| 5 | 4s | 11.840874 | .00190783 |
| 6 | 5s | 44.518427 | .00039371 |
| 7 | 5s | 15.703171 | -.00471934 |
| 8 | 2s | 30.303651 | -.00325246 |
| 9 | 2s | 68.251752 | .00008496 |
| 10 | 5s | 3.542701 | -.00001095 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086083 | < R2 > | .009954 | < 1/R > | 17.555955 | < 1/R**2 > | 621.274944 |
Total Energy= -522.32533667 a.u.
Kinetic Energy= 522.27902129 a.u.
Potential Energy= -1044.60435796 a.u.
Virial Ratio = -2.00008868