(1s 1 2s 1 ) 3 S O 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3020.
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 | 2s- electron | |
| 1 | 1s | 6.302566 | .44699721 |
| 2 | 2s | 3.554106 | -.87270709 |
| 3 | 3s | 4.242041 | -.28754865 |
| 4 | 4s | 10.113459 | .00595113 |
| 5 | 5s | 3.583091 | -.00509932 |
| 6 | 4s | 2.617958 | .00135970 |
| ORB.ENERGY,a.u. | -6.576600 | ||
| NORM | 1.000000 | < R > | .806883 | < R2 > | .758180 | < 1/R > | 1.805414 | < 1/R**2 > | 12.849064 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.875568 | .75790955 |
| 2 | 1s | 8.078423 | .25688218 |
| 3 | 2s | 8.373264 | -.01379959 |
| 4 | 3s | 8.338078 | -.00427949 |
| 5 | 4s | 8.148991 | .00161561 |
| 6 | 5s | 15.159675 | -.00054577 |
| 7 | 5s | 6.691558 | -.00008005 |
| ORB.ENERGY,a.u. | -30.577000 |
| NORM | 1.000000 | < R > | .187367 | < R2 > | .046824 | < 1/R > | 8.006531 | < 1/R**2 > | 128.195023 |
Total Energy= -38.47153858 a.u.
Kinetic Energy= 38.54279820 a.u.
Potential Energy= -77.01433678 a.u.
Virial Ratio = -1.99815116