(1s 1 3d 1 ) 1 D Be 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1232.
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 | 3d- electron | |
| 1 | 3d | 1.020617 | .92835224 |
| 2 | 5d | 25.114918 | .00000670 |
| 3 | 4d | 1.014157 | .07651366 |
| 4 | 5d | 5.648471 | -.00035428 |
| ORB.ENERGY,a.u. | -.501550 | ||
| NORM | 1.000000 | < R > | 3.502058 | < R2 > | 14.014451 | < 1/R > | .333063 | < 1/R**2 > | .133066 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.917919 | .75851040 |
| 2 | 1s | 4.102283 | .25491299 |
| 3 | 2s | 3.948471 | -.01491637 |
| 4 | 3s | 3.737629 | -.00069034 |
| ORB.ENERGY,a.u. | -7.612700 |
| NORM | 1.000000 | < R > | .374971 | < R2 > | .187461 | < 1/R > | 4.000162 | < 1/R**2 > | 32.001909 |
Total Energy= -8.50377469 a.u.
Kinetic Energy= 8.49983625 a.u.
Potential Energy= -17.00361094 a.u.
Virial Ratio = -2.00046335