(1s 2 2s 2 2p 6 3s 2 3p 2 4p 1 ) 4 D Ar 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4241.
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 | 1.004287 | .64713491 |
| 2 | 5p | 1.600714 | .63603861 |
| 3 | 4p | 4.276401 | -.39534530 |
| 4 | 2p | 8.054099 | .12645199 |
| 5 | 5p | 3.229159 | -.39720118 |
| 6 | 3p | 11.001793 | -.01425996 |
| 7 | 4p | 34.731143 | -.00015462 |
| 8 | 3p | .698578 | -.00437580 |
| ORB.ENERGY,a.u. | -1.058900 | ||
| NORM | 1.000000 | < R > | 3.392516 | < R2 > | 12.876817 | < 1/R > | .387619 | < 1/R**2 > | .434240 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.162068 | .48183327 |
| 2 | 2p | 2.074509 | -.82992354 |
| 3 | 3p | 3.057416 | -.50309489 |
| 4 | 2p | 10.543380 | .08833026 |
| 5 | 4p | 4.289237 | .14118873 |
| 6 | 3p | 19.254838 | -.00185823 |
| 7 | 5p | 1.297171 | -.00206590 |
| 8 | 4p | 79.985931 | .00000543 |
| ORB.ENERGY,a.u. | -2.361000 | ||
| NORM | 1.000000 | < R > | 1.347439 | < R2 > | 2.094794 | < 1/R > | .996694 | < 1/R**2 > | 2.178440 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.203748 | -.39819628 |
| 2 | 1s | 12.998996 | .20735070 |
| 3 | 1s | 67.053589 | .00007791 |
| 4 | 2s | 6.215062 | -.22918437 |
| 5 | 3s | 2.950223 | 1.06194524 |
| 6 | 4s | 5.142612 | .15375337 |
| 7 | 3s | 39.318595 | -.00051694 |
| 8 | 5s | 2.607555 | .03479435 |
| ORB.ENERGY,a.u. | -3.129900 | ||
| NORM | 1.000000 | < R > | 1.272133 | < R2 > | 1.844597 | < 1/R > | 1.076961 | < 1/R**2 > | 6.842197 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 1.811028 | -.02183058 |
| 2 | 2p | 3.798379 | .06577666 |
| 3 | 2p | 15.937515 | .15444119 |
| 4 | 3p | 12.497309 | .42298229 |
| 5 | 4p | 9.799452 | .39664720 |
| 6 | 5p | 7.872375 | .12835928 |
| 7 | 5p | 17.650750 | -.00514400 |
| 8 | 3p | 44.573261 | .00005889 |
| 9 | 3p | 2.118785 | .01559997 |
| ORB.ENERGY,a.u. | -11.391000 | ||
| NORM | 1.000000 | < R > | .374533 | < R2 > | .173516 | < 1/R > | 3.455828 | < 1/R**2 > | 16.574836 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.441046 | .38636109 |
| 2 | 2s | 7.559273 | -.82709680 |
| 3 | 3s | 6.829362 | -.28881994 |
| 4 | 4s | 30.506493 | .00183227 |
| 5 | 3s | 17.093829 | .00829969 |
| 6 | 2s | 2.733672 | -.05816299 |
| 7 | 4s | 3.683656 | .02933826 |
| 8 | 5s | 2.694910 | .00123127 |
| 9 | 5s | 79.105950 | .00001278 |
| ORB.ENERGY,a.u. | -14.168000 | ||
| NORM | 1.000000 | < R > | .410825 | < R2 > | .199600 | < 1/R > | 3.567026 | < 1/R**2 > | 52.290179 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.572579 | 1.01064719 |
| 2 | 2s | 23.225742 | -.01614639 |
| 3 | 3s | 14.055300 | .01751656 |
| 4 | 4s | 35.503197 | -.00051526 |
| 5 | 4s | 11.869078 | .00190046 |
| 6 | 5s | 44.515170 | .00039307 |
| 7 | 5s | 15.697670 | -.00472062 |
| 8 | 2s | 30.285174 | -.00324947 |
| 9 | 2s | 68.143402 | .00008522 |
| 10 | 5s | 3.585424 | -.00001173 |
| ORB.ENERGY,a.u. | -120.110000 |
| NORM | 1.000000 | < R > | .086086 | < R2 > | .009955 | < 1/R > | 17.555562 | < 1/R**2 > | 621.253035 |
Total Energy= -522.54435089 a.u.
Kinetic Energy= 522.56302351 a.u.
Potential Energy= -1045.10737441 a.u.
Virial Ratio = -1.99996427