(1s 2 2s 2 2p 6 3s 2 3p 2 5d 1 ) 2 F Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2352.
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 | 5d- electron | |
| 1 | 3d | 1.137524 | .47200271 |
| 2 | 4d | .703692 | -2.48800576 |
| 3 | 5d | .643549 | 2.61712237 |
| 4 | 3d | 2.354230 | .22273760 |
| 5 | 4d | 2.803911 | -.09252286 |
| 6 | 5d | 5.902067 | .00694088 |
| 7 | 3d | 6.858962 | .00958648 |
| ORB.ENERGY,a.u. | -.384720 | ||
| NORM | 1.000009 | < R > | 9.933058 | < R2 > | 113.134484 | < 1/R > | .153017 | < 1/R**2 > | .064176 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.886795 | .37913905 |
| 2 | 2p | 1.746059 | -.79303218 |
| 3 | 3p | 2.430810 | -.37160407 |
| 4 | 2p | 9.553087 | .09583082 |
| 5 | 4p | 1.889297 | .04422478 |
| 6 | 3p | 14.679933 | -.00365183 |
| 7 | 4p | 34.216830 | -.00016189 |
| 8 | 5p | .627629 | .00014585 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.528174 | < R2 > | 2.695372 | < 1/R > | .873316 | < 1/R**2 > | 1.677123 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.379434 | -.33355346 |
| 2 | 1s | 12.274032 | .19673965 |
| 3 | 1s | 66.628298 | .00007019 |
| 4 | 2s | 5.659147 | -.22507494 |
| 5 | 3s | 2.694187 | .99540736 |
| 6 | 4s | 4.737472 | .11642542 |
| 7 | 3s | 37.213542 | -.00056053 |
| 8 | 5s | 2.545649 | .08275232 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.414575 | < R2 > | 2.284689 | < 1/R > | .961663 | < 1/R**2 > | 5.401280 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.958094 | .41310542 |
| 2 | 3p | 7.908518 | .49209898 |
| 3 | 4p | 6.544464 | .18792047 |
| 4 | 5p | 5.324694 | .01827085 |
| 5 | 5p | 34.578403 | -.00020158 |
| 6 | 3p | 2.423781 | .00158036 |
| 7 | 2p | 24.106663 | .00153143 |
| 8 | 4p | 87.942811 | .00000660 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404828 | < R2 > | .203254 | < 1/R > | 3.206618 | < 1/R**2 > | 14.316621 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.754039 | .37591929 |
| 2 | 2s | 6.937000 | -.76842532 |
| 3 | 3s | 6.418378 | -.16214616 |
| 4 | 4s | 26.701215 | .00171014 |
| 5 | 2s | 4.893626 | -.19785246 |
| 6 | 3s | 17.908173 | .00647102 |
| 7 | 4s | 2.871358 | -.00052044 |
| 8 | 5s | 44.707125 | .00011372 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440568 | < R2 > | .229823 | < 1/R > | 3.322453 | < 1/R**2 > | 45.407790 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578510 | 1.01107645 |
| 2 | 2s | 20.675691 | -.01844108 |
| 3 | 3s | 15.069933 | .01705982 |
| 4 | 4s | 62.073105 | -.00038927 |
| 5 | 4s | 8.148840 | .00130079 |
| 6 | 5s | 80.203620 | .00011160 |
| 7 | 5s | 8.284080 | -.00056773 |
| 8 | 2s | 28.468228 | -.00340510 |
| 9 | 2s | 164.584827 | .00000222 |
| 10 | 3s | 1.778876 | -.00000730 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091282 | < R2 > | .011196 | < 1/R > | 16.561314 | < 1/R**2 > | 553.062911 |
Total Energy= -457.00153304 a.u.
Kinetic Energy= 456.99299855 a.u.
Potential Energy= -913.99453159 a.u.
Virial Ratio = -2.00001868