(1s 2 2s 2 2p 6 3s 2 3p 1 4p 1 ) 3 D Ar 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3241.
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 | 5p | 1.827748 | .81796820 |
| 2 | 4p | 3.276332 | -.59232694 |
| 3 | 2p | 8.562951 | .12564817 |
| 4 | 5p | 5.986527 | -.12958699 |
| 5 | 3p | 15.666058 | -.00388390 |
| 6 | 5p | 29.631458 | .00043475 |
| 7 | 2p | 1.120229 | .42275801 |
| 8 | 4p | 49.067627 | .00005627 |
| 9 | 3p | .634561 | -.00161228 |
| ORB.ENERGY,a.u. | -1.189800 | ||
| NORM | 1.000000 | < R > | 3.049267 | < R2 > | 10.389482 | < 1/R > | .435061 | < 1/R**2 > | .547001 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.419989 | .34976969 |
| 2 | 3p | 2.688499 | -1.23770822 |
| 3 | 5p | 3.254969 | .17565290 |
| 4 | 4p | 6.110468 | -.04234219 |
| 5 | 3p | 19.394027 | -.00190829 |
| 6 | 2p | 10.476524 | .09991021 |
| 7 | 4p | 80.174432 | .00000607 |
| ORB.ENERGY,a.u. | -2.717600 | ||
| NORM | 1.000000 | < R > | 1.288135 | < R2 > | 1.907675 | < 1/R > | 1.046726 | < 1/R**2 > | 2.401268 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 5.193971 | -.21216991 |
| 2 | 1s | 12.928968 | .21910202 |
| 3 | 1s | 63.081187 | .00009841 |
| 4 | 2s | 5.741022 | -.37911144 |
| 5 | 3s | 2.731850 | 1.20654252 |
| 6 | 4s | 5.012152 | .12918599 |
| 7 | 3s | 38.745413 | -.00053520 |
| 8 | 5s | 3.148108 | -.21341041 |
| ORB.ENERGY,a.u. | -3.347100 | ||
| NORM | 1.000000 | < R > | 1.238701 | < R2 > | 1.744356 | < 1/R > | 1.108825 | < 1/R**2 > | 7.273114 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 10.426830 | .43567070 |
| 2 | 3p | 8.304082 | .49283368 |
| 3 | 5p | 5.917369 | .01500294 |
| 4 | 4p | 6.972728 | .15847322 |
| 5 | 2p | 24.008823 | .00202017 |
| 6 | 5p | 40.947616 | -.00011415 |
| 7 | 3p | 3.249192 | .00193344 |
| 8 | 4p | 87.999680 | .00000525 |
| 9 | 5p | 1.646014 | -.00022868 |
| ORB.ENERGY,a.u. | -12.038000 | ||
| NORM | 1.000000 | < R > | .373909 | < R2 > | .172842 | < 1/R > | 3.460110 | < 1/R**2 > | 16.610157 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 14.329173 | .39152747 |
| 2 | 2s | 7.641263 | -.82723305 |
| 3 | 3s | 7.016344 | -.29742204 |
| 4 | 4s | 25.978296 | .00358623 |
| 5 | 3s | 13.018605 | .01114011 |
| 6 | 4s | 6.250744 | -.03866468 |
| 7 | 5s | 4.980238 | -.00046050 |
| 8 | 4s | 36.289458 | .00059241 |
| 9 | 2s | 45.971187 | -.00010537 |
| 10 | 3s | 1.062685 | .00003892 |
| ORB.ENERGY,a.u. | -14.789000 | ||
| NORM | 1.000000 | < R > | .410100 | < R2 > | .198802 | < 1/R > | 3.572930 | < 1/R**2 > | 52.447094 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 17.585894 | 1.00956104 |
| 2 | 2s | 22.943766 | -.01619356 |
| 3 | 3s | 15.901317 | .01521226 |
| 4 | 4s | 32.640891 | -.00071727 |
| 5 | 4s | 11.951408 | .00373334 |
| 6 | 5s | 43.225870 | .00038378 |
| 7 | 5s | 14.120125 | -.00252377 |
| 8 | 2s | 31.083900 | -.00306893 |
| 9 | 2s | 64.039976 | .00012076 |
| 10 | 5s | 3.625375 | -.00000325 |
| ORB.ENERGY,a.u. | -120.780000 |
| NORM | 1.000000 | < R > | .086077 | < R2 > | .009952 | < 1/R > | 17.556767 | < 1/R**2 > | 621.319369 |
Total Energy= -520.16662830 a.u.
Kinetic Energy= 520.18253269 a.u.
Potential Energy= -1040.34916099 a.u.
Virial Ratio = -1.99996943