(1s 2 2s 2 2p 6 3s 2 3p 2 4p 1 ) 2 D Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2241.
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 | 4p- electron | |
| 1 | 2p | .925432 | .57509637 |
| 2 | 5p | 1.562538 | .69609349 |
| 3 | 4p | 4.332012 | -.28284737 |
| 4 | 2p | 7.965881 | .09502805 |
| 5 | 5p | 3.166383 | -.35726687 |
| 6 | 3p | 10.795762 | -.01216600 |
| 7 | 4p | 35.048997 | -.00010848 |
| 8 | 3p | .841194 | -.03663179 |
| ORB.ENERGY,a.u. | -1.030600 | ||
| NORM | 1.000000 | < R > | 3.571540 | < R2 > | 14.019522 | < 1/R > | .339755 | < 1/R**2 > | .272878 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 3p | 2.601388 | -1.29311507 |
| 2 | 5p | 2.365859 | -.51252781 |
| 3 | 4p | 7.736561 | .11660532 |
| 4 | 2p | 8.323407 | .28469198 |
| 5 | 4p | 2.130128 | .68821417 |
| 6 | 5p | 11.143225 | .00712655 |
| 7 | 3p | 18.108531 | -.00304697 |
| 8 | 3p | 1.162739 | .06247624 |
| 9 | 4p | 85.988132 | .00000415 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.316298 | < R2 > | 1.984695 | < 1/R > | 1.015232 | < 1/R**2 > | 2.247628 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.202556 | -.39843846 |
| 2 | 1s | 12.999433 | .20738124 |
| 3 | 1s | 67.047219 | .00007794 |
| 4 | 2s | 6.214590 | -.22924455 |
| 5 | 3s | 2.950292 | 1.06223450 |
| 6 | 4s | 5.145360 | .15377292 |
| 7 | 3s | 39.313663 | -.00051695 |
| 8 | 5s | 2.641560 | .03426557 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.271597 | < R2 > | 1.842652 | < 1/R > | 1.077277 | < 1/R**2 > | 6.845438 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.210284 | -.01690583 |
| 2 | 2p | 3.777896 | .06670021 |
| 3 | 2p | 15.938279 | .15445903 |
| 4 | 3p | 12.497590 | .42310765 |
| 5 | 4p | 9.802173 | .39674205 |
| 6 | 5p | 7.875476 | .12881341 |
| 7 | 5p | 17.627742 | -.00521159 |
| 8 | 3p | 44.330300 | .00005996 |
| 9 | 3p | 2.355878 | .00870362 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374498 | < R2 > | .173476 | < 1/R > | 3.456040 | < 1/R**2 > | 16.576461 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.441042 | .38636681 |
| 2 | 2s | 7.559274 | -.82710378 |
| 3 | 3s | 6.829587 | -.28881626 |
| 4 | 4s | 30.512141 | .00183362 |
| 5 | 3s | 17.089465 | .00829997 |
| 6 | 2s | 2.734253 | -.05815196 |
| 7 | 4s | 3.686119 | .02930455 |
| 8 | 5s | 2.699174 | .00125074 |
| 9 | 5s | 79.270262 | .00001273 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410819 | < R2 > | .199595 | < 1/R > | 3.567077 | < 1/R**2 > | 52.291579 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572586 | 1.01064716 |
| 2 | 2s | 23.225338 | -.01614634 |
| 3 | 3s | 14.055469 | .01751630 |
| 4 | 4s | 35.501098 | -.00051526 |
| 5 | 4s | 11.868025 | .00190074 |
| 6 | 5s | 44.515068 | .00039309 |
| 7 | 5s | 15.697838 | -.00472058 |
| 8 | 2s | 30.285677 | -.00324955 |
| 9 | 2s | 68.146639 | .00008521 |
| 10 | 5s | 3.583797 | -.00001193 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086086 | < R2 > | .009955 | < 1/R > | 17.555572 | < 1/R**2 > | 621.253633 |
Total Energy= -522.54445664 a.u.
Kinetic Energy= 522.53475060 a.u.
Potential Energy= -1045.07920724 a.u.
Virial Ratio = -2.00001857