(1s 2 2s 2 2p 6 3s 2 3p 2 5d 1 ) 2 D Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2252.
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 | .966086 | .66613916 |
| 2 | 4d | .669513 | -3.10809378 |
| 3 | 5d | .627765 | 3.05079991 |
| 4 | 3d | 2.202182 | .32744972 |
| 5 | 4d | 2.669435 | -.18069997 |
| 6 | 5d | 6.517471 | .00276532 |
| 7 | 3d | 7.251320 | .00717670 |
| ORB.ENERGY,a.u. | -.376570 | ||
| NORM | .999993 | < R > | 10.294512 | < R2 > | 122.180965 | < 1/R > | .151772 | < 1/R**2 > | .064655 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.893357 | .37888849 |
| 2 | 2p | 1.742607 | -.79334546 |
| 3 | 3p | 2.436865 | -.37013205 |
| 4 | 2p | 9.565983 | .09530431 |
| 5 | 4p | 1.880165 | .04370376 |
| 6 | 3p | 14.728890 | -.00357726 |
| 7 | 4p | 34.137058 | -.00016273 |
| 8 | 5p | .477354 | .00013931 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.528499 | < R2 > | 2.696901 | < 1/R > | .873304 | < 1/R**2 > | 1.677547 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.383834 | -.33295277 |
| 2 | 1s | 12.272953 | .19676719 |
| 3 | 1s | 67.876608 | .00006700 |
| 4 | 2s | 5.662339 | -.22501585 |
| 5 | 3s | 2.691978 | .99484004 |
| 6 | 4s | 4.729372 | .11715373 |
| 7 | 3s | 37.231254 | -.00056990 |
| 8 | 5s | 2.534597 | .08334084 |
| 9 | 4s | 1.853329 | -.00150789 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.414792 | < R2 > | 2.285464 | < 1/R > | .961523 | < 1/R**2 > | 5.399732 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 5p | 5.322716 | .01827994 |
| 2 | 5p | 34.600384 | -.00020203 |
| 3 | 3p | 2.401887 | .00159830 |
| 4 | 2p | 24.106039 | .00153095 |
| 5 | 4p | 88.072993 | .00000654 |
| 6 | 2p | 9.958229 | .41309277 |
| 7 | 3p | 7.908503 | .49211330 |
| 8 | 4p | 6.544319 | .18792781 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404836 | < R2 > | .203266 | < 1/R > | 3.206585 | < 1/R**2 > | 14.316409 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.754036 | .37592047 |
| 2 | 2s | 6.937007 | -.76842593 |
| 3 | 3s | 6.418468 | -.16214615 |
| 4 | 4s | 26.703474 | .00171012 |
| 5 | 2s | 4.893623 | -.19785262 |
| 6 | 3s | 17.907266 | .00647144 |
| 7 | 4s | 2.863503 | -.00052132 |
| 8 | 5s | 44.709097 | .00011364 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440566 | < R2 > | .229821 | < 1/R > | 3.322462 | < 1/R**2 > | 45.408028 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578510 | 1.01107649 |
| 2 | 2s | 20.675643 | -.01844114 |
| 3 | 3s | 15.069962 | .01705982 |
| 4 | 4s | 62.073176 | -.00038928 |
| 5 | 4s | 8.148940 | .00130077 |
| 6 | 5s | 80.204293 | .00011160 |
| 7 | 5s | 8.284262 | -.00056771 |
| 8 | 2s | 28.468271 | -.00340511 |
| 9 | 2s | 164.587257 | .00000222 |
| 10 | 3s | 1.778336 | -.00000730 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091282 | < R2 > | .011196 | < 1/R > | 16.561314 | < 1/R**2 > | 553.062945 |
Total Energy= -457.00322218 a.u.
Kinetic Energy= 456.98484626 a.u.
Potential Energy= -913.98806844 a.u.
Virial Ratio = -2.00004021