(1s 2 2s 2 2p 6 3s 2 3p 1 3d 1 ) 1 D Cl 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 1.658188 | 1.14719760 |
| 2 | 4d | 1.832237 | -.32021438 |
| 3 | 3d | 3.235211 | .34897632 |
| 4 | 4d | 3.906144 | -.13019014 |
| 5 | 5d | 6.756484 | -.01651111 |
| 6 | 3d | 9.215526 | .00559943 |
| ORB.ENERGY,a.u. | -1.213500 | ||
| NORM | 1.000000 | < R > | 1.789751 | < R2 > | 3.788610 | < 1/R > | .682744 | < 1/R**2 > | .596771 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.133834 | .34184425 |
| 2 | 2p | 1.624598 | -.52044047 |
| 3 | 3p | 2.525523 | -.60639704 |
| 4 | 2p | 9.871145 | .08471138 |
| 5 | 3p | 17.664886 | -.00209716 |
| 6 | 4p | 1.511755 | .05165386 |
| 7 | 5p | 1.485850 | -.01446673 |
| 8 | 4p | 82.967410 | .00000411 |
| ORB.ENERGY,a.u. | -1.927300 | ||
| NORM | 1.000000 | < R > | 1.509231 | < R2 > | 2.626166 | < 1/R > | .884725 | < 1/R**2 > | 1.720287 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 3.262338 | -.35306699 |
| 2 | 1s | 12.248991 | .19884668 |
| 3 | 1s | 66.127342 | .00007421 |
| 4 | 2s | 5.800722 | -.21375701 |
| 5 | 3s | 2.682870 | .99996594 |
| 6 | 4s | 4.651125 | .13818712 |
| 7 | 3s | 36.880240 | -.00058682 |
| 8 | 5s | 2.496816 | .06557664 |
| 9 | 2s | 1.278984 | -.00213904 |
| ORB.ENERGY,a.u. | -2.468800 | ||
| NORM | 1.000000 | < R > | 1.404681 | < R2 > | 2.252118 | < 1/R > | .969274 | < 1/R**2 > | 5.492853 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.788832 | .43106885 |
| 2 | 3p | 7.644304 | .51150496 |
| 3 | 5p | 4.413600 | .00595736 |
| 4 | 4p | 6.157564 | .15894205 |
| 5 | 2p | 24.380745 | .00156088 |
| 6 | 5p | 33.066714 | -.00015604 |
| 7 | 3p | 46.188674 | .00003271 |
| 8 | 3p | 1.164382 | .00007988 |
| ORB.ENERGY,a.u. | -9.665100 | ||
| NORM | 1.000000 | < R > | .404370 | < R2 > | .202751 | < 1/R > | 3.209723 | < 1/R**2 > | 14.341929 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.734317 | .37715675 |
| 2 | 2s | 6.944942 | -.76935311 |
| 3 | 3s | 6.363417 | -.16280698 |
| 4 | 4s | 28.095029 | .00175642 |
| 5 | 2s | 4.968408 | -.19734944 |
| 6 | 3s | 17.471802 | .00704973 |
| 7 | 4s | 4.204983 | -.00063456 |
| 8 | 5s | 2.928718 | -.00018230 |
| ORB.ENERGY,a.u. | -12.188000 | ||
| NORM | 1.000000 | < R > | .440077 | < R2 > | .229267 | < 1/R > | 3.326203 | < 1/R**2 > | 45.502608 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.579501 | 1.01105937 |
| 2 | 2s | 20.615813 | -.01841941 |
| 3 | 3s | 15.117325 | .01700345 |
| 4 | 4s | 61.878793 | -.00038960 |
| 5 | 4s | 8.409142 | .00132557 |
| 6 | 5s | 79.940650 | .00010954 |
| 7 | 5s | 8.651240 | -.00052868 |
| 8 | 2s | 28.532460 | -.00343363 |
| 9 | 2s | 162.339340 | .00000237 |
| ORB.ENERGY,a.u. | -106.050000 |
| NORM | 1.000000 | < R > | .091270 | < R2 > | .011193 | < 1/R > | 16.562660 | < 1/R**2 > | 553.133220 |
Total Energy= -456.00846788 a.u.
Kinetic Energy= 456.07685860 a.u.
Potential Energy= -912.08532648 a.u.
Virial Ratio = -1.99985005