(1s 2 2s 2 2p 2 3s 1 ) 4 P Cl 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4130.
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 | 13.254239 | .20757544 |
| 2 | 2s | 5.099806 | -1.10839757 |
| 3 | 3s | 4.099876 | 1.64096231 |
| 4 | 4s | 11.313231 | -.03605506 |
| 5 | 5s | 20.034279 | -.00541429 |
| 6 | 5s | 3.263990 | .00256534 |
| 7 | 4s | 62.667044 | -.00002112 |
| 8 | 4s | 2.284677 | -.00082704 |
| ORB.ENERGY,a.u. | -8.223000 | ||
| NORM | 1.000000 | < R > | 1.014581 | < R2 > | 1.168348 | < 1/R > | 1.427524 | < 1/R**2 > | 12.402117 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 6.687702 | 1.18719195 |
| 2 | 3p | 7.723474 | -.20654638 |
| 3 | 2p | 16.797796 | .01656561 |
| 4 | 4p | 19.072443 | .00254527 |
| 5 | 5p | 37.732881 | -.00027348 |
| 6 | 5p | 4.916244 | .01084689 |
| 7 | 4p | 4.398324 | -.01274465 |
| ORB.ENERGY,a.u. | -20.637000 | ||
| NORM | 1.000000 | < R > | .352616 | < R2 > | .150900 | < 1/R > | 3.594106 | < 1/R**2 > | 17.526086 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 13.019395 | .44442910 |
| 2 | 2s | 7.627803 | -.89565975 |
| 3 | 3s | 7.224550 | -.29801386 |
| 4 | 4s | 29.373559 | .00193203 |
| 5 | 3s | 14.760891 | .02644774 |
| 6 | 5s | 5.571361 | -.00952871 |
| 7 | 4s | 3.498228 | -.00116266 |
| ORB.ENERGY,a.u. | -20.297000 | ||
| NORM | 1.000000 | < R > | .406405 | < R2 > | .193966 | < 1/R > | 3.617066 | < 1/R**2 > | 53.130290 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.060781 | .92026591 |
| 2 | 1s | 23.978023 | .07877614 |
| 3 | 2s | 14.341075 | .01942632 |
| 4 | 3s | 18.065835 | -.01591091 |
| 5 | 5s | 40.508881 | .00078493 |
| 6 | 4s | 93.801128 | -.00003526 |
| 7 | 5s | 5.699153 | .00048365 |
| ORB.ENERGY,a.u. | -117.740000 |
| NORM | 1.000000 | < R > | .090728 | < R2 > | .011030 | < 1/R > | 16.625240 | < 1/R**2 > | 556.369243 |
Total Energy= -389.32076679 a.u.
Kinetic Energy= 389.36060329 a.u.
Potential Energy= -778.68137007 a.u.
Virial Ratio = -1.99989769