(1s 2 2s 2 ) 1 S O 4+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1020.
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 | 6.598110 | .35265417 |
| 2 | 2s | 3.090096 | -.85778950 |
| 3 | 3s | 3.396355 | -.23960945 |
| 4 | 4s | 16.869803 | .00916475 |
| 5 | 4s | 9.687584 | .02510081 |
| 6 | 5s | 3.246419 | -.02442359 |
| 7 | 5s | 21.963365 | -.00296334 |
| 8 | 4s | 55.486414 | .00004992 |
| ORB.ENERGY,a.u. | -4.082800 | ||
| NORM | 1.000000 | < R > | .935937 | < R2 > | 1.026206 | < 1/R > | 1.538328 | < 1/R**2 > | 9.531157 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.215478 | .88283243 |
| 2 | 1s | 11.322961 | .11926934 |
| 3 | 2s | 6.573141 | .02609819 |
| 4 | 3s | 8.859464 | -.02397121 |
| 5 | 4s | 15.241906 | .00476506 |
| 6 | 5s | 8.668328 | -.00519214 |
| 7 | 5s | 73.650738 | -.00000468 |
| ORB.ENERGY,a.u. | -24.429000 |
| NORM | 1.000000 | < R > | .197201 | < R2 > | .052218 | < 1/R > | 7.674642 | < 1/R**2 > | 119.144465 |
Total Energy= -68.25771096 a.u.
Kinetic Energy= 68.25770858 a.u.
Potential Energy= -136.51541954 a.u.
Virial Ratio = -2.00000003