(1s 2 2s 2 ) 3 S O 4+
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 | 6.640288 | .34930018 |
| 2 | 2s | 3.061219 | -.85195163 |
| 3 | 3s | 3.467380 | -.23996306 |
| 4 | 4s | 15.757919 | .00561853 |
| 5 | 4s | 9.844294 | .02297978 |
| 6 | 5s | 3.232034 | -.03262871 |
| 7 | 5s | 35.763426 | .00038184 |
| 8 | 4s | 2.777692 | .00833330 |
| 9 | 4s | 52.629122 | .00008879 |
| ORB.ENERGY,a.u. | -4.082800 | ||
| NORM | 1.000000 | < R > | .935937 | < R2 > | 1.026205 | < 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 | 7.227862 | .88069312 |
| 2 | 1s | 11.336339 | .11899535 |
| 3 | 2s | 7.270704 | .02321956 |
| 4 | 3s | 8.338408 | -.02396842 |
| 5 | 4s | 14.678975 | .00496259 |
| 6 | 5s | 11.112148 | .00159254 |
| 7 | 5s | 56.123153 | -.00002012 |
| ORB.ENERGY,a.u. | -24.429000 |
| NORM | 1.000000 | < R > | .197201 | < R2 > | .052218 | < 1/R > | 7.674642 | < 1/R**2 > | 119.144481 |
Total Energy= -68.25771144 a.u.
Kinetic Energy= 68.25770726 a.u.
Potential Energy= -136.51541870 a.u.
Virial Ratio = -2.00000006