(1s 2 2s 2 2p 6 3s 2 3p 2 3d 1 ) 4 F Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4332.
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 | 3d- electron | |
| 1 | 3d | 1.165933 | 1.01571091 |
| 2 | 4d | 1.250648 | -.46828474 |
| 3 | 3d | 2.278564 | .79620745 |
| 4 | 4d | 2.784420 | -.39564384 |
| 5 | 5d | 3.239202 | .07168430 |
| 6 | 3d | 7.289727 | .01689733 |
| 7 | 4d | 39.175187 | .00001007 |
| ORB.ENERGY,a.u. | -.954490 | ||
| NORM | 1.000000 | < R > | 2.020265 | < R2 > | 4.890292 | < 1/R > | .613559 | < 1/R**2 > | .489495 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.879818 | .36315651 |
| 2 | 2p | 1.707849 | -.81509844 |
| 3 | 3p | 2.308547 | -.37791923 |
| 4 | 2p | 9.531919 | .09255681 |
| 5 | 4p | 2.492998 | .07560892 |
| 6 | 3p | 14.583307 | -.00361730 |
| 7 | 4p | 34.164073 | -.00015812 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.582607 | < R2 > | 2.903948 | < 1/R > | .842356 | < 1/R**2 > | 1.560457 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.398166 | -.31764504 |
| 2 | 1s | 12.293344 | .19098264 |
| 3 | 1s | 97.525394 | .00002459 |
| 4 | 2s | 5.737418 | -.21719729 |
| 5 | 3s | 2.634404 | .95100327 |
| 6 | 4s | 4.661385 | .13681449 |
| 7 | 3s | 37.811866 | -.00065829 |
| 8 | 5s | 2.410352 | .10161615 |
| 9 | 4s | 107.421513 | -.00001577 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.446441 | < R2 > | 2.397916 | < 1/R > | .940046 | < 1/R**2 > | 5.149979 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.957221 | .41335365 |
| 2 | 3p | 7.908699 | .49194124 |
| 3 | 4p | 6.542206 | .18787947 |
| 4 | 5p | 5.319170 | .01829211 |
| 5 | 5p | 34.619662 | -.00021019 |
| 6 | 3p | 2.567143 | .00143546 |
| 7 | 2p | 24.090289 | .00153082 |
| 8 | 4p | 90.687509 | .00000595 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404780 | < R2 > | .203210 | < 1/R > | 3.207094 | < 1/R**2 > | 14.321074 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.753038 | .37590824 |
| 2 | 2s | 6.940106 | -.76840416 |
| 3 | 3s | 6.426699 | -.16203457 |
| 4 | 4s | 26.979891 | .00176127 |
| 5 | 2s | 4.874889 | -.19814368 |
| 6 | 3s | 17.886016 | .00645137 |
| 7 | 4s | 2.806246 | -.00065127 |
| 8 | 5s | 46.051352 | .00007542 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440676 | < R2 > | .229971 | < 1/R > | 3.321906 | < 1/R**2 > | 45.395476 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578750 | 1.01107223 |
| 2 | 2s | 20.666900 | -.01843721 |
| 3 | 3s | 15.076403 | .01705197 |
| 4 | 4s | 62.135955 | -.00039048 |
| 5 | 4s | 8.136779 | .00130578 |
| 6 | 5s | 80.289255 | .00011165 |
| 7 | 5s | 8.274083 | -.00056817 |
| 8 | 2s | 28.472713 | -.00340559 |
| 9 | 2s | 168.645636 | .00000211 |
| 10 | 3s | 1.791707 | -.00000659 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091279 | < R2 > | .011195 | < 1/R > | 16.561628 | < 1/R**2 > | 553.079694 |
Total Energy= -457.47480503 a.u.
Kinetic Energy= 457.56418590 a.u.
Potential Energy= -915.03899093 a.u.
Virial Ratio = -1.99980466