(1s 2 2s 2 2p 6 3s 2 3p 2 4d 1 ) 4 P Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4142.
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 | 1.130246 | .65844310 |
| 2 | 4d | 1.010073 | -.78769273 |
| 3 | 3d | 2.436608 | .38867679 |
| 4 | 4d | 3.759369 | -.07336955 |
| 5 | 5d | 3.249090 | -.10405132 |
| 6 | 5d | .890049 | -.61702401 |
| 7 | 3d | 7.519096 | .00780718 |
| ORB.ENERGY,a.u. | -.522640 | ||
| NORM | 1.000001 | < R > | 5.528418 | < R2 > | 35.489539 | < 1/R > | .258773 | < 1/R**2 > | .134909 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.912188 | .37608258 |
| 2 | 2p | 1.726375 | -.80200126 |
| 3 | 3p | 2.408003 | -.37150326 |
| 4 | 2p | 9.613164 | .09302487 |
| 5 | 4p | 1.964013 | .05789744 |
| 6 | 3p | 15.142299 | -.00321929 |
| 7 | 4p | 34.215456 | -.00014150 |
| 8 | 5p | .872683 | -.00041605 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.535049 | < R2 > | 2.721697 | < 1/R > | .869414 | < 1/R**2 > | 1.662570 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.407862 | -.32951234 |
| 2 | 1s | 12.269923 | .19641884 |
| 3 | 1s | 67.637645 | .00006758 |
| 4 | 2s | 5.660120 | -.22489497 |
| 5 | 3s | 2.683946 | .98911682 |
| 6 | 4s | 4.723495 | .11856001 |
| 7 | 3s | 37.197897 | -.00056899 |
| 8 | 5s | 2.528138 | .08464279 |
| 9 | 4s | 1.783677 | -.00111754 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.418107 | < R2 > | 2.296795 | < 1/R > | .959096 | < 1/R**2 > | 5.370599 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.958884 | .41304563 |
| 2 | 3p | 7.908589 | .49217222 |
| 3 | 4p | 6.543133 | .18796073 |
| 4 | 5p | 5.315090 | .01831634 |
| 5 | 5p | 34.706864 | -.00020568 |
| 6 | 3p | 2.401388 | .00158615 |
| 7 | 2p | 24.092988 | .00153016 |
| 8 | 4p | 89.470303 | .00000613 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404862 | < R2 > | .203301 | < 1/R > | 3.206499 | < 1/R**2 > | 14.315961 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.754092 | .37590624 |
| 2 | 2s | 6.937207 | -.76839907 |
| 3 | 3s | 6.417707 | -.16214627 |
| 4 | 4s | 26.629111 | .00171041 |
| 5 | 2s | 4.892909 | -.19785759 |
| 6 | 3s | 17.945004 | .00645712 |
| 7 | 4s | 2.946257 | -.00056918 |
| 8 | 5s | 44.691150 | .00011462 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440589 | < R2 > | .229851 | < 1/R > | 3.322340 | < 1/R**2 > | 45.405205 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578548 | 1.01107576 |
| 2 | 2s | 20.674267 | -.01844045 |
| 3 | 3s | 15.070965 | .01705857 |
| 4 | 4s | 62.083957 | -.00038947 |
| 5 | 4s | 8.146844 | .00130158 |
| 6 | 5s | 80.216713 | .00011161 |
| 7 | 5s | 8.281992 | -.00056787 |
| 8 | 2s | 28.468917 | -.00340517 |
| 9 | 2s | 165.307452 | .00000220 |
| 10 | 3s | 1.767214 | -.00000717 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091281 | < R2 > | .011196 | < 1/R > | 16.561364 | < 1/R**2 > | 553.065564 |
Total Energy= -457.13531564 a.u.
Kinetic Energy= 457.13111105 a.u.
Potential Energy= -914.26642669 a.u.
Virial Ratio = -2.00000920