(1s 2 2s 1 4d 1 ) 3 D Be 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
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 | 4d- electron | |
| 1 | 3d | .277313 | 1.48283099 |
| 2 | 4d | .251736 | -2.00668779 |
| 3 | 5d | .737770 | .02359319 |
| 4 | 3d | .951634 | .02807741 |
| 5 | 4d | 9.579020 | .00001484 |
| ORB.ENERGY,a.u. | -.031883 | ||
| NORM | .999999 | < R > | 20.426711 | < R2 > | 478.982211 | < 1/R > | .065478 | < 1/R**2 > | .007174 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 3.653212 | .22782796 |
| 2 | 2s | 1.118336 | -.73687045 |
| 3 | 3s | 1.578272 | -.28081856 |
| 4 | 4s | 4.725001 | .01201663 |
| 5 | 3s | 4.818697 | .01646728 |
| 6 | 5s | 3.054724 | -.02145958 |
| 7 | 5s | 20.025608 | -.00009371 |
| ORB.ENERGY,a.u. | -.573030 | ||
| NORM | 1.000000 | < R > | 2.284684 | < R2 > | 6.117641 | < 1/R > | .606379 | < 1/R**2 > | 1.444730 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.375248 | .89189167 |
| 2 | 1s | 5.923334 | .12529032 |
| 3 | 2s | 1.247867 | .00131968 |
| 4 | 3s | 4.274567 | -.01477300 |
| 5 | 4s | 6.016004 | .00525309 |
| 6 | 5s | 9.586054 | .00194518 |
| 7 | 5s | 29.659269 | -.00005620 |
| ORB.ENERGY,a.u. | -4.532600 |
| NORM | 1.000000 | < R > | .414989 | < R2 > | .233026 | < 1/R > | 3.682471 | < 1/R**2 > | 27.763228 |
Total Energy= -14.31182044 a.u.
Kinetic Energy= 14.30927781 a.u.
Potential Energy= -28.62109825 a.u.
Virial Ratio = -2.00017769