(1s 2 2s 2 ) 1 S Be 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1020.
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 | 3.744548 | .18446082 |
| 2 | 2s | .883323 | -.76732397 |
| 3 | 3s | 1.628964 | -.22111290 |
| 4 | 4s | 6.795166 | .00624066 |
| 5 | 5s | 17.026221 | .00015933 |
| 6 | 5s | 3.380831 | -.03927316 |
| 7 | 4s | .832768 | -.00888112 |
| 8 | 3s | 46.016389 | -.00000587 |
| ORB.ENERGY,a.u. | -.295660 | ||
| NORM | 1.000000 | < R > | 2.649415 | < R2 > | 8.426418 | < 1/R > | .522522 | < 1/R**2 > | 1.055645 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.367248 | .89122952 |
| 2 | 1s | 5.944981 | .12610695 |
| 3 | 2s | 6.875380 | .00116306 |
| 4 | 3s | 4.488553 | -.01689629 |
| 5 | 4s | 6.990737 | .00784499 |
| 6 | 5s | 6.904424 | .00097041 |
| 7 | 5s | 23.596521 | -.00012835 |
| 8 | 3s | 25.910875 | -.00004982 |
| ORB.ENERGY,a.u. | -4.532600 |
| NORM | 1.000000 | < R > | .414993 | < R2 > | .232952 | < 1/R > | 3.681877 | < 1/R**2 > | 27.753352 |
Total Energy= -14.57302283 a.u.
Kinetic Energy= 14.57302197 a.u.
Potential Energy= -29.14604480 a.u.
Virial Ratio = -2.00000006