(1s 2 2s 1 3d 1 ) 1 D Be 0
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 | .331532 | 1.01069552 |
| 2 | 5d | .756617 | -.00879685 |
| 3 | 4d | 1.213323 | -.01677304 |
| 4 | 3d | 1.094210 | .00965785 |
| ORB.ENERGY,a.u. | -.055170 | ||
| NORM | 1.000000 | < R > | 10.624231 | < R2 > | 128.752587 | < 1/R > | .109525 | < 1/R**2 > | .014354 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 3.666054 | .22724106 |
| 2 | 2s | 1.094106 | -.75230414 |
| 3 | 3s | 1.705296 | -.28979839 |
| 4 | 4s | 4.466964 | .01805122 |
| 5 | 3s | 4.762961 | .01861415 |
| 6 | 5s | 1.698147 | -.01536926 |
| 7 | 4s | .999838 | .01727162 |
| 8 | 5s | 20.156018 | -.00009764 |
| ORB.ENERGY,a.u. | -.499060 | ||
| NORM | 1.000000 | < R > | 2.277731 | < R2 > | 6.073562 | < 1/R > | .607948 | < 1/R**2 > | 1.451894 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.387959 | .88901676 |
| 2 | 1s | 5.898156 | .12515208 |
| 3 | 2s | 1.283603 | .00143618 |
| 4 | 3s | 4.455568 | -.01623827 |
| 5 | 4s | 7.143326 | .00899149 |
| 6 | 5s | 5.725057 | .00379264 |
| 7 | 5s | 29.374769 | -.00003193 |
| ORB.ENERGY,a.u. | -4.532600 |
| NORM | 1.000000 | < R > | .414996 | < R2 > | .233035 | < 1/R > | 3.682435 | < 1/R**2 > | 27.762800 |
Total Energy= -14.33705015 a.u.
Kinetic Energy= 14.33256728 a.u.
Potential Energy= -28.66961743 a.u.
Virial Ratio = -2.00031278