(1s 1 2s 1 ) 3 S Cl 15+
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 | 13.020564 | .49878159 |
| 2 | 2s | 8.000764 | -.89200235 |
| 3 | 3s | 9.477041 | -.29836329 |
| 4 | 4s | 21.376777 | .00306947 |
| 5 | 5s | 9.266960 | -.01218467 |
| ORB.ENERGY,a.u. | -33.686000 | ||
| NORM | 1.000000 | < R > | .364898 | < R2 > | .155183 | < 1/R > | 4.054852 | < 1/R**2 > | 65.396413 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 16.776886 | .88945067 |
| 2 | 1s | 19.404727 | .10537438 |
| 3 | 2s | 17.742345 | .01056868 |
| 4 | 3s | 19.075013 | -.00488954 |
| 5 | 4s | 38.433436 | .00015996 |
| 6 | 5s | 37.950531 | -.00015616 |
| ORB.ENERGY,a.u. | -142.060000 |
| NORM | 1.000000 | < R > | .088204 | < R2 > | .010375 | < 1/R > | 17.007194 | < 1/R**2 > | 578.460026 |
Total Energy= -177.30610165 a.u.
Kinetic Energy= 177.47592895 a.u.
Potential Energy= -354.78203060 a.u.
Virial Ratio = -1.99904310