(1s 2 2s 2 2p 6 3s 2 3p 1 5p 1 ) 1 D Ar 4+
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 | 5p | 2.732344 | -.18295939 |
| 2 | 4p | 1.459414 | 1.89430929 |
| 3 | 5p | 1.187976 | -1.97685256 |
| 4 | 3p | 2.673775 | -.33512207 |
| 5 | 2p | 12.659649 | .00775873 |
| 6 | 2p | 6.166857 | .06974717 |
| 7 | 4p | 18.023376 | .00074674 |
| ORB.ENERGY,a.u. | -.677670 | ||
| NORM | .999998 | < R > | 5.385721 | < R2 > | 32.293029 | < 1/R > | .231424 | < 1/R**2 > | .124149 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 7.088710 | .45017826 |
| 2 | 3p | 2.219613 | -.98082918 |
| 3 | 4p | 1.089291 | .37771103 |
| 4 | 5p | 2.496974 | .32261012 |
| 5 | 4p | 4.107092 | -.36000248 |
| 6 | 3p | 9.490431 | -.09348426 |
| 7 | 5p | 1.180730 | -.44347683 |
| 8 | 4p | 28.154213 | -.00061080 |
| 9 | 2p | 44.056952 | .00004640 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.294668 | < R2 > | 2.115289 | < 1/R > | 1.067048 | < 1/R**2 > | 2.497619 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 4.070279 | -.24900083 |
| 2 | 1s | 13.092918 | .20589204 |
| 3 | 1s | 75.105218 | .00005590 |
| 4 | 2s | 6.035558 | -.33582354 |
| 5 | 3s | 2.870295 | 1.11648570 |
| 6 | 4s | 4.869023 | .12892722 |
| 7 | 3s | 40.613331 | -.00051996 |
| 8 | 5s | 3.250984 | -.09553509 |
| 9 | 2s | .634809 | -.00034924 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.235333 | < R2 > | 1.733960 | < 1/R > | 1.111856 | < 1/R**2 > | 7.312903 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.421890 | .43608889 |
| 2 | 3p | 8.302324 | .49274231 |
| 3 | 5p | 5.973488 | .01530893 |
| 4 | 4p | 6.977457 | .15771221 |
| 5 | 2p | 23.589042 | .00214004 |
| 6 | 5p | 41.915259 | -.00014282 |
| 7 | 3p | 3.051260 | .00174597 |
| 8 | 4p | 117.198633 | .00000183 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373757 | < R2 > | .172678 | < 1/R > | 3.461136 | < 1/R**2 > | 16.618490 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.329568 | .39161702 |
| 2 | 2s | 7.642572 | -.82733234 |
| 3 | 3s | 7.015831 | -.29745723 |
| 4 | 4s | 26.029084 | .00365473 |
| 5 | 3s | 13.058832 | .01103607 |
| 6 | 4s | 6.257587 | -.03854456 |
| 7 | 5s | 4.186931 | -.00029252 |
| 8 | 4s | 36.783353 | .00056398 |
| 9 | 2s | 46.808762 | -.00009702 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .409982 | < R2 > | .198675 | < 1/R > | 3.573914 | < 1/R**2 > | 52.473400 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.586048 | 1.00955830 |
| 2 | 2s | 22.936685 | -.01619003 |
| 3 | 3s | 15.906467 | .01520692 |
| 4 | 4s | 32.630636 | -.00071724 |
| 5 | 4s | 11.946751 | .00373578 |
| 6 | 5s | 43.225507 | .00038395 |
| 7 | 5s | 14.122243 | -.00252351 |
| 8 | 2s | 31.092804 | -.00307062 |
| 9 | 2s | 64.075349 | .00012062 |
| 10 | 5s | 2.968581 | -.00000292 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086075 | < R2 > | .009952 | < 1/R > | 17.556971 | < 1/R**2 > | 621.330691 |
Total Energy= -519.67750065 a.u.
Kinetic Energy= 519.67067134 a.u.
Potential Energy= -1039.34817200 a.u.
Virial Ratio = -2.00001314