(1s 2 2s 2 2p 6 3s 1 5s 1 ) 1 S Ar 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 15.867528 | .03063197 |
| 2 | 2s | 4.685279 | -.15090537 |
| 3 | 3s | 2.080488 | 2.01713862 |
| 4 | 4s | 2.031875 | -3.65747084 |
| 5 | 5s | 1.604117 | 2.24994258 |
| 6 | 5s | 12.550259 | -.01862854 |
| 7 | 4s | 16.526425 | -.01654323 |
| 8 | 3s | 22.219443 | -.00225689 |
| 9 | 2s | .782201 | -.02048823 |
| ORB.ENERGY,a.u. | -1.286600 | ||
| NORM | 1.000000 | < R > | 4.105643 | < R2 > | 18.709806 | < 1/R > | .306210 | < 1/R**2 > | .517324 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 1.079748 | 3.08107665 |
| 2 | 1s | 16.002040 | .08191235 |
| 3 | 2s | 6.363657 | -1.17092710 |
| 4 | 3s | 1.815782 | -1.91954067 |
| 5 | 4s | 3.883985 | .29304043 |
| 6 | 5s | 21.378936 | -.00358797 |
| 7 | 4s | 6.252373 | -.33582060 |
| 8 | 5s | 1.030331 | -.00678119 |
| ORB.ENERGY,a.u. | -4.493200 | ||
| NORM | 1.000000 | < R > | 1.168168 | < R2 > | 1.670461 | < 1/R > | 1.225191 | < 1/R**2 > | 9.092852 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.055786 | .45562926 |
| 2 | 3p | 8.340521 | .46842479 |
| 3 | 5p | 5.208850 | .00762160 |
| 4 | 4p | 6.928241 | .17351359 |
| 5 | 2p | 19.462530 | .00802503 |
| 6 | 5p | 15.014684 | -.00853496 |
| 7 | 3p | 57.181742 | .00003178 |
| 8 | 4p | 111.062763 | -.00000368 |
| 9 | 3p | 3.818902 | -.00482852 |
| 10 | 4p | 1.450302 | .00003712 |
| ORB.ENERGY,a.u. | -13.545000 | ||
| NORM | 1.000000 | < R > | .371670 | < R2 > | .170429 | < 1/R > | 3.475391 | < 1/R**2 > | 16.736021 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.279069 | .39449955 |
| 2 | 2s | 7.626066 | -.84662235 |
| 3 | 3s | 6.717042 | -.30749165 |
| 4 | 4s | 28.256956 | .00323903 |
| 5 | 3s | 14.010262 | .01321298 |
| 6 | 2s | 3.685057 | -.00795674 |
| 7 | 5s | 1.460175 | .00528333 |
| 8 | 5s | 57.725361 | .00007997 |
| 9 | 2s | 55.621338 | -.00004591 |
| 10 | 4s | 1.278480 | -.00503309 |
| ORB.ENERGY,a.u. | -16.420000 | ||
| NORM | 1.000000 | < R > | .409091 | < R2 > | .197727 | < 1/R > | 3.581371 | < 1/R**2 > | 52.671371 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.587470 | 1.00954474 |
| 2 | 2s | 23.118983 | -.01668843 |
| 3 | 3s | 16.362236 | .01504863 |
| 4 | 4s | 28.579624 | -.00071906 |
| 5 | 4s | 11.724836 | .00448807 |
| 6 | 5s | 43.481008 | .00041675 |
| 7 | 5s | 13.418011 | -.00272350 |
| 8 | 2s | 28.669741 | -.00289087 |
| 9 | 2s | 72.361299 | .00005451 |
| 10 | 3s | 1.868059 | -.00001164 |
| ORB.ENERGY,a.u. | -122.570000 |
| NORM | 1.000000 | < R > | .086061 | < R2 > | .009948 | < 1/R > | 17.558989 | < 1/R**2 > | 621.445382 |
Total Energy= -512.49553629 a.u.
Kinetic Energy= 512.48725121 a.u.
Potential Energy= -1024.98278750 a.u.
Virial Ratio = -2.00001617