(1s 1 5d 1 ) 1 D Be 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | 5d- electron | |
| 1 | 5d | .599888 | 5.98156051 |
| 2 | 3d | .600203 | 3.54112276 |
| 3 | 4d | .600201 | -8.83130850 |
| 4 | 3d | .760440 | .00067910 |
| 5 | 5d | 1.091272 | .00311278 |
| 6 | 4d | 3.896346 | -.00032564 |
| ORB.ENERGY,a.u. | -.181660 | ||
| NORM | 1.000008 | < R > | 11.504015 | < R2 > | 150.096342 | < 1/R > | .119921 | < 1/R**2 > | .028733 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.917823 | .75852269 |
| 2 | 1s | 4.102233 | .25490777 |
| 3 | 2s | 3.949774 | -.01491717 |
| 4 | 3s | 3.935282 | -.00066027 |
| ORB.ENERGY,a.u. | -7.861700 |
| NORM | 1.000000 | < R > | .374992 | < R2 > | .187489 | < 1/R > | 4.000047 | < 1/R**2 > | 32.000563 |
Total Energy= -8.18118320 a.u.
Kinetic Energy= 8.17995025 a.u.
Potential Energy= -16.36113345 a.u.
Virial Ratio = -2.00015073