(1s 2 2s 2 2p 6 3s 2 3p 1 5s 1 ) 3 P Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3150.
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 | 5s- electron | |
| 1 | 1s | 5.774301 | .17344979 |
| 2 | 2s | 6.325356 | -.27884197 |
| 3 | 3s | 2.940967 | .45200797 |
| 4 | 4s | 1.624180 | -2.73714277 |
| 5 | 5s | 1.268148 | 1.38594773 |
| 6 | 5s | 28.050437 | .00033054 |
| 7 | 3s | 1.168137 | 1.53004287 |
| 8 | 4s | 16.521672 | -.00448020 |
| 9 | 2s | 12.099806 | -.04516413 |
| ORB.ENERGY,a.u. | -.766920 | ||
| NORM | .999999 | < R > | 4.944829 | < R2 > | 27.283365 | < 1/R > | .277636 | < 1/R**2 > | .727233 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.502304 | .39181699 |
| 2 | 2p | 2.092577 | -.36445036 |
| 3 | 3p | 2.870470 | -.76919659 |
| 4 | 2p | 10.529977 | .09232279 |
| 5 | 3p | 18.226214 | -.00198104 |
| 6 | 4p | 1.629126 | .00735429 |
| 7 | 4p | 34.523402 | -.00011674 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.295577 | < R2 > | 1.928427 | < 1/R > | 1.038511 | < 1/R**2 > | 2.360017 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.687566 | 2.64277872 |
| 2 | 1s | 19.713147 | .02236519 |
| 3 | 2s | 6.576907 | -1.42054837 |
| 4 | 3s | 1.638303 | -.99961108 |
| 5 | 4s | 5.629247 | -.52613320 |
| 6 | 5s | 8.942331 | -.12600623 |
| 7 | 4s | 1.788869 | .55253387 |
| 8 | 3s | 61.000313 | -.00010491 |
| 9 | 4s | 100.401433 | .00002828 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.234842 | < R2 > | 1.732662 | < 1/R > | 1.112491 | < 1/R**2 > | 7.322729 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.421870 | .43608225 |
| 2 | 3p | 8.302365 | .49274563 |
| 3 | 5p | 5.969910 | .01532742 |
| 4 | 4p | 6.977043 | .15771520 |
| 5 | 2p | 23.594441 | .00213803 |
| 6 | 5p | 41.921504 | -.00014329 |
| 7 | 3p | 3.134441 | .00168884 |
| 8 | 4p | 117.676824 | .00000182 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373758 | < R2 > | .172677 | < 1/R > | 3.461106 | < 1/R**2 > | 16.618152 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.331836 | .39159499 |
| 2 | 2s | 7.642806 | -.82729509 |
| 3 | 3s | 7.018124 | -.29741673 |
| 4 | 4s | 26.123389 | .00367160 |
| 5 | 3s | 13.074761 | .01102522 |
| 6 | 4s | 6.260850 | -.03850969 |
| 7 | 5s | 4.070627 | -.00031953 |
| 8 | 4s | 36.894361 | .00055814 |
| 9 | 2s | 48.355376 | -.00008592 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .409914 | < R2 > | .198605 | < 1/R > | 3.574544 | < 1/R**2 > | 52.490899 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586146 | 1.00955647 |
| 2 | 2s | 22.930861 | -.01618754 |
| 3 | 3s | 15.910495 | .01520296 |
| 4 | 4s | 32.613730 | -.00071728 |
| 5 | 4s | 11.941275 | .00373884 |
| 6 | 5s | 43.235397 | .00038407 |
| 7 | 5s | 14.123021 | -.00252363 |
| 8 | 2s | 31.100761 | -.00307221 |
| 9 | 2s | 64.101989 | .00012049 |
| 10 | 5s | 2.301611 | -.00000405 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086074 | < R2 > | .009952 | < 1/R > | 17.557112 | < 1/R**2 > | 621.338106 |
Total Energy= -519.75677491 a.u.
Kinetic Energy= 519.75880405 a.u.
Potential Energy= -1039.51557895 a.u.
Virial Ratio = -1.99999610