(1s 1 5s 1 ) 3 S Be 2+
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 | 3.220101 | .08981779 |
| 2 | 2s | .697520 | -3.23299046 |
| 3 | 3s | .811197 | 5.78629377 |
| 4 | 4s | .542802 | -13.63174352 |
| 5 | 5s | .588251 | 12.05878702 |
| 6 | 2s | 1.900328 | .12164473 |
| 7 | 5s | 3.371576 | -.01112573 |
| 8 | 3s | .304810 | .03548518 |
| ORB.ENERGY,a.u. | -.191330 | ||
| NORM | .999964 | < R > | 11.872218 | < R2 > | 157.851737 | < 1/R > | .123386 | < 1/R**2 > | .143565 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.918062 | .75852688 |
| 2 | 1s | 4.102183 | .25489675 |
| 3 | 2s | 3.937390 | -.01492048 |
| 4 | 3s | 4.470099 | -.00060253 |
| ORB.ENERGY,a.u. | -7.871300 |
| NORM | 1.000000 | < R > | .374988 | < R2 > | .187495 | < 1/R > | 4.000206 | < 1/R**2 > | 32.003290 |
Total Energy= -8.18818139 a.u.
Kinetic Energy= 8.18960053 a.u.
Potential Energy= -16.37778192 a.u.
Virial Ratio = -1.99982671