(1s 2 2s 1 4s 1 ) 1 S Cl 13+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | 4s- electron | |
| 1 | 1s | 10.659828 | .13180830 |
| 2 | 2s | 3.925038 | -1.64917694 |
| 3 | 3s | 3.693371 | 4.81193796 |
| 4 | 4s | 3.580953 | -3.97321405 |
| 5 | 5s | 5.532862 | .24531389 |
| 6 | 4s | 9.247372 | -.08871720 |
| 7 | 5s | 37.044807 | .00064779 |
| 8 | 4s | 53.778730 | .00009177 |
| 9 | 5s | 1.600034 | .00014429 |
| ORB.ENERGY,a.u. | -6.448400 | ||
| NORM | 1.000000 | < R > | 1.630863 | < R2 > | 2.977233 | < 1/R > | .795989 | < 1/R**2 > | 2.947673 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 16.255498 | .35271227 |
| 2 | 2s | 4.245983 | -.84600919 |
| 3 | 3s | 10.093507 | -.64284894 |
| 4 | 4s | 5.703847 | .57386314 |
| 5 | 5s | 3.465018 | -.15775661 |
| 6 | 5s | 23.094912 | -.00652500 |
| 7 | 4s | 34.127669 | -.00083805 |
| 8 | 4s | 2.252332 | .03068552 |
| 9 | 2s | 62.000852 | .00005491 |
| 10 | 5s | 1.905119 | -.01031787 |
| 11 | 3s | 1.207102 | .00406489 |
| ORB.ENERGY,a.u. | -28.960000 | ||
| NORM | 1.000000 | < R > | .384843 | < R2 > | .194090 | < 1/R > | 3.981194 | < 1/R**2 > | 64.033923 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.395063 | .93970231 |
| 2 | 1s | 26.003456 | .04740917 |
| 3 | 2s | 20.520922 | .01689410 |
| 4 | 3s | 12.742571 | .00148159 |
| 5 | 4s | 67.516568 | -.00042706 |
| 6 | 5s | 89.772899 | .00015654 |
| 7 | 5s | 6.937621 | .00038866 |
| 8 | 4s | 3.126890 | -.00034538 |
| ORB.ENERGY,a.u. | -128.100000 |
| NORM | 1.000000 | < R > | .090338 | < R2 > | .010918 | < 1/R > | 16.673957 | < 1/R**2 > | 558.971070 |
Total Energy= -314.54996704 a.u.
Kinetic Energy= 314.52613944 a.u.
Potential Energy= -629.07610648 a.u.
Virial Ratio = -2.00007576