(1s 1 5s 1 ) 3 S O 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 6.240839 | .11194995 |
| 2 | 2s | 2.040425 | -1.89805051 |
| 3 | 3s | 1.670245 | 6.15241882 |
| 4 | 4s | 1.301319 | -16.85797024 |
| 5 | 5s | 1.381623 | 13.34775721 |
| 6 | 2s | 4.268462 | .15690193 |
| 7 | 5s | 7.687820 | -.00400928 |
| 8 | 3s | 37.662999 | .00002128 |
| 9 | 4s | .844204 | .01248390 |
| ORB.ENERGY,a.u. | -1.031900 | ||
| NORM | .999985 | < R > | 5.229849 | < R2 > | 30.631232 | < 1/R > | .283410 | < 1/R**2 > | .783990 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.868388 | .75743300 |
| 2 | 1s | 8.102468 | .25628205 |
| 3 | 2s | 7.910133 | -.01566443 |
| 4 | 3s | 10.361258 | -.00016903 |
| ORB.ENERGY,a.u. | -31.752000 |
| NORM | 1.000000 | < R > | .187497 | < R2 > | .046875 | < 1/R > | 8.000235 | < 1/R**2 > | 128.007909 |
Total Energy= -33.00036199 a.u.
Kinetic Energy= 33.00413046 a.u.
Potential Energy= -66.00449245 a.u.
Virial Ratio = -1.99988582