(1s 1 4s 1 ) 3 S S 14+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 4s- electron | |
| 1 | 1s | 9.199101 | .26751345 |
| 2 | 2s | 5.031464 | -1.55005815 |
| 3 | 3s | 3.524170 | 6.08049025 |
| 4 | 4s | 3.715030 | -5.78182154 |
| 5 | 5s | 5.434016 | .29212455 |
| 6 | 4s | 9.433362 | -.05622886 |
| 7 | 5s | 60.011044 | -.00004923 |
| ORB.ENERGY,a.u. | -7.591500 | ||
| NORM | 1.000000 | < R > | 1.576893 | < R2 > | 2.797114 | < 1/R > | .944190 | < 1/R**2 > | 7.060877 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 15.765965 | .88940408 |
| 2 | 1s | 18.407569 | .10541714 |
| 3 | 2s | 16.694895 | .01066724 |
| 4 | 3s | 16.642969 | -.00534319 |
| 5 | 4s | 19.317514 | -.00000160 |
| 6 | 5s | 20.296081 | .00026624 |
| ORB.ENERGY,a.u. | -127.590000 |
| NORM | 1.000000 | < R > | .093749 | < R2 > | .011719 | < 1/R > | 16.000510 | < 1/R**2 > | 512.034802 |
Total Energy= -135.11964151 a.u.
Kinetic Energy= 135.13647274 a.u.
Potential Energy= -270.25611425 a.u.
Virial Ratio = -1.99987545