(1s 2 2s 2 ) 3 S Be 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3020.
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 | 3.710420 | .18702559 |
| 2 | 2s | .890355 | -.71636858 |
| 3 | 3s | 1.788837 | -.29877958 |
| 4 | 4s | 1.849597 | .03747401 |
| 5 | 4s | 5.209923 | .01489472 |
| 6 | 5s | 1.641889 | -.05381070 |
| 7 | 4s | .881813 | -.02178727 |
| 8 | 5s | 10.213810 | .00100671 |
| 9 | 4s | 26.833730 | -.00001699 |
| 10 | 2s | 11.495777 | -.00031306 |
| ORB.ENERGY,a.u. | -.295660 | ||
| NORM | 1.000000 | < R > | 2.649413 | < R2 > | 8.426427 | < 1/R > | .522522 | < 1/R**2 > | 1.055648 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.365496 | .89280594 |
| 2 | 1s | 5.968606 | .12499557 |
| 3 | 2s | 9.073739 | .00057489 |
| 4 | 3s | 4.395433 | -.01597656 |
| 5 | 4s | 7.121063 | .00847376 |
| 6 | 5s | 9.228526 | -.00081263 |
| 7 | 5s | 26.898461 | -.00003904 |
| ORB.ENERGY,a.u. | -4.532600 |
| NORM | 1.000000 | < R > | .414993 | < R2 > | .232952 | < 1/R > | 3.681877 | < 1/R**2 > | 27.753371 |
Total Energy= -14.57302328 a.u.
Kinetic Energy= 14.57302315 a.u.
Potential Energy= -29.14604643 a.u.
Virial Ratio = -2.00000001