(1s 2 2s 2 2p 6 3s 2 3p 2 3d 1 ) 2 D Cl 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2232.
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 | 1.011361 | 1.11306591 |
| 2 | 4d | 1.075538 | -.27183760 |
| 3 | 3d | 2.472033 | .43629244 |
| 4 | 4d | 2.804302 | -.25683080 |
| 5 | 5d | 2.892474 | .05388031 |
| 6 | 3d | 7.528985 | .00978724 |
| 7 | 4d | 42.355726 | .00000448 |
| ORB.ENERGY,a.u. | -.716250 | ||
| NORM | 1.000000 | < R > | 2.850805 | < R2 > | 9.816352 | < 1/R > | .448738 | < 1/R**2 > | .279315 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.908409 | .37319206 |
| 2 | 2p | 1.709695 | -.79397770 |
| 3 | 3p | 2.507643 | -.35041126 |
| 4 | 2p | 9.586346 | .09397185 |
| 5 | 4p | 1.857435 | .02245935 |
| 6 | 3p | 14.888678 | -.00341972 |
| 7 | 4p | 34.199426 | -.00015365 |
| 8 | 5p | 1.487284 | .00390531 |
| ORB.ENERGY,a.u. | -1.618100 | ||
| NORM | 1.000000 | < R > | 1.541565 | < R2 > | 2.748968 | < 1/R > | .867446 | < 1/R**2 > | 1.660080 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.404297 | -.32392502 |
| 2 | 1s | 12.261874 | .19422401 |
| 3 | 1s | 61.185913 | .00008980 |
| 4 | 2s | 5.713809 | -.22138695 |
| 5 | 3s | 2.663504 | .97096544 |
| 6 | 4s | 4.665134 | .12723037 |
| 7 | 3s | 36.491792 | -.00054635 |
| 8 | 5s | 2.440934 | .09101556 |
| 9 | 2s | .991785 | .00115416 |
| ORB.ENERGY,a.u. | -2.279700 | ||
| NORM | 1.000000 | < R > | 1.430899 | < R2 > | 2.343403 | < 1/R > | .950889 | < 1/R**2 > | 5.277764 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.961549 | .41281456 |
| 2 | 3p | 7.908675 | .49243817 |
| 3 | 4p | 6.539645 | .18809786 |
| 4 | 5p | 5.281327 | .01847720 |
| 5 | 5p | 35.007425 | -.00021644 |
| 6 | 3p | 2.150531 | .00181378 |
| 7 | 2p | 24.073098 | .00152262 |
| 8 | 4p | 93.779358 | .00000500 |
| ORB.ENERGY,a.u. | -9.109500 | ||
| NORM | 1.000000 | < R > | .404991 | < R2 > | .203488 | < 1/R > | 3.206004 | < 1/R**2 > | 14.312890 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.754117 | .37589012 |
| 2 | 2s | 6.938697 | -.76843230 |
| 3 | 3s | 6.428542 | -.16202702 |
| 4 | 4s | 27.211469 | .00174869 |
| 5 | 2s | 4.878521 | -.19808042 |
| 6 | 3s | 17.819963 | .00650258 |
| 7 | 4s | 2.681075 | -.00052819 |
| 8 | 5s | 46.068617 | .00006343 |
| ORB.ENERGY,a.u. | -11.649000 | ||
| NORM | 1.000000 | < R > | .440618 | < R2 > | .229891 | < 1/R > | 3.322186 | < 1/R**2 > | 45.401659 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.578586 | 1.01107550 |
| 2 | 2s | 20.672757 | -.01844030 |
| 3 | 3s | 15.072313 | .01705707 |
| 4 | 4s | 62.087633 | -.00038967 |
| 5 | 4s | 8.146792 | .00130199 |
| 6 | 5s | 80.242145 | .00011161 |
| 7 | 5s | 8.280894 | -.00056776 |
| 8 | 2s | 28.470069 | -.00340535 |
| 9 | 2s | 165.408384 | .00000220 |
| 10 | 3s | 1.718755 | -.00000691 |
| ORB.ENERGY,a.u. | -105.470000 |
| NORM | 1.000000 | < R > | .091281 | < R2 > | .011196 | < 1/R > | 16.561419 | < 1/R**2 > | 553.068548 |
Total Energy= -457.44564277 a.u.
Kinetic Energy= 457.32514074 a.u.
Potential Energy= -914.77078351 a.u.
Virial Ratio = -2.00026349