(1s 2 2s 2 2p 6 3s 2 ) 1 S Cl 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
| 1 | 1s | 2.046977 | 1.25779916 |
| 2 | 1s | 15.929662 | .05130332 |
| 3 | 2s | 7.434656 | -.67357362 |
| 4 | 3s | 5.786099 | -.64115541 |
| 5 | 4s | 3.221284 | .48477924 |
| 6 | 5s | 20.461978 | -.00277469 |
| 7 | 4s | 66.134312 | -.00001481 |
| 8 | 5s | 1.615296 | -.00062764 |
| ORB.ENERGY,a.u. | -3.489900 | ||
| NORM | 1.000000 | < R > | 1.327578 | < R2 > | 1.999441 | < 1/R > | 1.030566 | < 1/R**2 > | 6.252115 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 9.673313 | .44016974 |
| 2 | 3p | 7.660580 | .49144213 |
| 3 | 5p | 5.416097 | .01157754 |
| 4 | 4p | 6.370677 | .15935506 |
| 5 | 2p | 20.157931 | .00329600 |
| 6 | 5p | 35.557036 | -.00033883 |
| 7 | 3p | 50.028759 | .00007347 |
| 8 | 3p | 3.249760 | .00147814 |
| 9 | 3p | 39.288558 | -.00018603 |
| ORB.ENERGY,a.u. | -10.990000 | ||
| NORM | 1.000000 | < R > | .403125 | < R2 > | .201235 | < 1/R > | 3.216384 | < 1/R**2 > | 14.390693 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.666923 | .38088944 |
| 2 | 2s | 7.140714 | -.80774118 |
| 3 | 3s | 6.330248 | -.30707344 |
| 4 | 4s | 28.576908 | .00191916 |
| 5 | 3s | 16.372982 | .00889393 |
| 6 | 2s | 3.889526 | -.03420531 |
| 7 | 4s | 3.521817 | .00306964 |
| 8 | 5s | 72.505234 | .00001259 |
| 9 | 5s | 3.147357 | -.00057618 |
| ORB.ENERGY,a.u. | -13.632000 | ||
| NORM | 1.000000 | < R > | .438828 | < R2 > | .227766 | < 1/R > | 3.334746 | < 1/R**2 > | 45.713087 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.580032 | 1.01106472 |
| 2 | 2s | 20.545944 | -.01841998 |
| 3 | 3s | 15.139702 | .01697603 |
| 4 | 4s | 60.887567 | -.00039845 |
| 5 | 4s | 8.517515 | .00133060 |
| 6 | 5s | 78.356375 | .00010987 |
| 7 | 5s | 8.906213 | -.00050364 |
| 8 | 2s | 28.713049 | -.00345152 |
| 9 | 2s | 150.515509 | .00000308 |
| ORB.ENERGY,a.u. | -107.620000 |
| NORM | 1.000000 | < R > | .091262 | < R2 > | .011190 | < 1/R > | 16.563679 | < 1/R**2 > | 553.185467 |
Total Energy= -452.40982021 a.u.
Kinetic Energy= 452.40981691 a.u.
Potential Energy= -904.81963712 a.u.
Virial Ratio = -2.00000001