(1s 1 4s 1 ) 1 S Be 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | .635217 | .72419246 |
| 2 | 2s | .843440 | -3.34926408 |
| 3 | 3s | .758082 | 7.62576441 |
| 4 | 4s | .776346 | -5.88401916 |
| 5 | 5s | 1.716658 | .07605550 |
| 6 | 3s | 5.016702 | .01062970 |
| 7 | 4s | 9.165787 | -.00067390 |
| 8 | 2s | 18.719827 | .00003847 |
| ORB.ENERGY,a.u. | -.297990 | ||
| NORM | 1.000008 | < R > | 7.588858 | < R2 > | 64.790736 | < 1/R > | .179524 | < 1/R**2 > | .113606 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | .415188 | .24652754 |
| 2 | 1s | 4.006195 | .99269270 |
| 3 | 2s | 1.497515 | -.11850855 |
| 4 | 3s | .528544 | -.21234132 |
| 5 | 4s | 14.039003 | .00001009 |
| 6 | 5s | 1.951011 | -.02221250 |
| 7 | 5s | 4.766573 | -.00043490 |
| 8 | 5s | .599099 | .04485002 |
| ORB.ENERGY,a.u. | -7.798000 |
| NORM | 1.000000 | < R > | .382196 | < R2 > | .274192 | < 1/R > | 4.013284 | < 1/R**2 > | 32.180224 |
Total Energy= -8.29908436 a.u.
Kinetic Energy= 8.29625195 a.u.
Potential Energy= -16.59533631 a.u.
Virial Ratio = -2.00034141