(1s 2 2s 2 2p 6 3s 2 3p 2 4d 1 ) 4 F Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4342.
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 | 4d- electron | |
| 1 | 3d | 1.272935 | .43800590 |
| 2 | 4d | 1.013839 | -.69368968 |
| 3 | 3d | 2.442393 | .34811213 |
| 4 | 4d | 3.855264 | -.06380941 |
| 5 | 5d | 3.208506 | -.09095321 |
| 6 | 5d | .913675 | -.55559634 |
| 7 | 3d | 7.625451 | .00646008 |
| ORB.ENERGY,a.u. | -.536900 | ||
| NORM | 1.000000 | < R > | 5.417759 | < R2 > | 33.335617 | < 1/R > | .246081 | < 1/R**2 > | .114715 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.899215 | .37704257 |
| 2 | 2p | 1.726748 | -.80546399 |
| 3 | 3p | 2.401731 | -.38047233 |
| 4 | 2p | 9.563573 | .09520357 |
| 5 | 4p | 1.969687 | .06973825 |
| 6 | 3p | 14.682150 | -.00360886 |
| 7 | 4p | 34.107166 | -.00016549 |
| 8 | 5p | 1.419850 | .00251825 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.527795 | < R2 > | 2.692738 | < 1/R > | .873001 | < 1/R**2 > | 1.674744 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.402912 | -.33048701 |
| 2 | 1s | 12.265953 | .19668366 |
| 3 | 1s | 65.110230 | .00007552 |
| 4 | 2s | 5.662316 | -.22515460 |
| 5 | 3s | 2.688548 | .99117047 |
| 6 | 4s | 4.722723 | .11693869 |
| 7 | 3s | 36.929493 | -.00056354 |
| 8 | 5s | 2.541600 | .08353611 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.416602 | < R2 > | 2.291553 | < 1/R > | .960146 | < 1/R**2 > | 5.382925 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.957929 | .41312555 |
| 2 | 3p | 7.908563 | .49207708 |
| 3 | 4p | 6.544372 | .18791361 |
| 4 | 5p | 5.326955 | .01826051 |
| 5 | 5p | 34.563925 | -.00020197 |
| 6 | 3p | 2.510585 | .00150706 |
| 7 | 2p | 24.100701 | .00153292 |
| 8 | 4p | 88.237415 | .00000657 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404815 | < R2 > | .203233 | < 1/R > | 3.206671 | < 1/R**2 > | 14.317002 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.754063 | .37590096 |
| 2 | 2s | 6.937059 | -.76839930 |
| 3 | 3s | 6.417027 | -.16215196 |
| 4 | 4s | 26.642927 | .00171578 |
| 5 | 2s | 4.893535 | -.19785384 |
| 6 | 3s | 17.932340 | .00646207 |
| 7 | 4s | 2.967005 | -.00056202 |
| 8 | 5s | 44.885643 | .00011276 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440594 | < R2 > | .229855 | < 1/R > | 3.322287 | < 1/R**2 > | 45.403793 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578516 | 1.01107647 |
| 2 | 2s | 20.675407 | -.01844115 |
| 3 | 3s | 15.070114 | .01705965 |
| 4 | 4s | 62.074218 | -.00038931 |
| 5 | 4s | 8.148353 | .00130101 |
| 6 | 5s | 80.207261 | .00011160 |
| 7 | 5s | 8.283502 | -.00056776 |
| 8 | 2s | 28.468353 | -.00340511 |
| 9 | 2s | 164.640600 | .00000222 |
| 10 | 3s | 1.781456 | -.00000731 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091282 | < R2 > | .011196 | < 1/R > | 16.561324 | < 1/R**2 > | 553.063443 |
Total Energy= -457.13594167 a.u.
Kinetic Energy= 457.14526991 a.u.
Potential Energy= -914.28121158 a.u.
Virial Ratio = -1.99997959