(1s 2 2s 2 2p 1 5p 1 ) 1 D Ar 12+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1251.
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 | 5p- electron | |
| 1 | 2p | 5.534678 | .38312571 |
| 2 | 3p | 3.009546 | -3.54766458 |
| 3 | 4p | 2.654307 | 9.76127860 |
| 4 | 5p | 2.665747 | -7.12289469 |
| 5 | 2p | 16.496818 | .00394366 |
| 6 | 5p | 4.920817 | -.18205132 |
| 7 | 5p | 16.049350 | -.00463191 |
| 8 | 4p | 29.644111 | -.00025343 |
| ORB.ENERGY,a.u. | -3.541000 | ||
| NORM | .999999 | < R > | 2.677278 | < R2 > | 8.065839 | < 1/R > | .508530 | < 1/R**2 > | .661755 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.749905 | 1.01191436 |
| 2 | 3p | 1.920017 | -.34550791 |
| 3 | 2p | 17.965148 | .01780747 |
| 4 | 5p | 14.199108 | -.01385409 |
| 5 | 5p | 3.465965 | .30818066 |
| 6 | 4p | 1.680890 | .04424979 |
| 7 | 3p | 20.361725 | .00064436 |
| 8 | 3p | 1.206502 | -.00754250 |
| 9 | 4p | 34.464122 | -.00034689 |
| ORB.ENERGY,a.u. | -27.200000 | ||
| NORM | 1.000000 | < R > | .325312 | < R2 > | .152826 | < 1/R > | 3.974690 | < 1/R**2 > | 21.324965 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 15.366953 | .39074903 |
| 2 | 2s | 7.035753 | -.81716043 |
| 3 | 3s | 10.030474 | -.28751722 |
| 4 | 4s | 33.209341 | .00124546 |
| 5 | 5s | 19.427821 | -.00801254 |
| 6 | 5s | 7.768789 | .01708382 |
| ORB.ENERGY,a.u. | -26.841000 | ||
| NORM | 1.000000 | < R > | .371549 | < R2 > | .161405 | < 1/R > | 3.962164 | < 1/R**2 > | 63.417810 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.203165 | .93918690 |
| 2 | 1s | 26.412936 | .05725406 |
| 3 | 2s | 15.940665 | .02001733 |
| 4 | 3s | 19.479232 | -.01403513 |
| 5 | 4s | 88.872151 | -.00005673 |
| 6 | 5s | 41.162761 | .00066377 |
| 7 | 4s | 7.227852 | .00002635 |
| ORB.ENERGY,a.u. | -137.760000 |
| NORM | 1.000000 | < R > | .085405 | < R2 > | .009764 | < 1/R > | 17.645066 | < 1/R**2 > | 626.186062 |
Total Energy= -408.76481316 a.u.
Kinetic Energy= 408.74903321 a.u.
Potential Energy= -817.51384637 a.u.
Virial Ratio = -2.00003861