(1s 2 2s 1 ) 2 S Be +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2020.
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 | 3.535079 | .20141696 |
| 2 | 1s | 6.137063 | .01676540 |
| 3 | 2s | 1.184197 | -1.10842392 |
| 4 | 3s | 8.008823 | -.00110959 |
| 5 | 2s | 2.642265 | .13672278 |
| ORB.ENERGY,a.u. | -.666190 | ||
| NORM | 1.000000 | < R > | 2.280006 | < R2 > | 6.088111 | < 1/R > | .607441 | < 1/R**2 > | 1.449576 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.225316 | .75457752 |
| 2 | 1s | 5.871014 | .20848857 |
| 3 | 2s | 5.049140 | .06519882 |
| 4 | 3s | 5.467988 | -.00900622 |
| 5 | 4s | 7.622501 | .00690600 |
| 6 | 5s | 4.504067 | -.00875046 |
| 7 | 5s | 1.935446 | .00067662 |
| ORB.ENERGY,a.u. | -4.981900 |
| NORM | 1.000000 | < R > | .414993 | < R2 > | .233031 | < 1/R > | 3.682449 | < 1/R**2 > | 27.762961 |
Total Energy= -14.27739486 a.u.
Kinetic Energy= 14.27739760 a.u.
Potential Energy= -28.55479246 a.u.
Virial Ratio = -1.99999981