(1s 2 2s 1 3s 1 ) 1 S Be 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1030.
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 | 3s- electron | |
| 1 | 1s | 3.571564 | .02332992 |
| 2 | 2s | .692026 | -.28181925 |
| 3 | 3s | .514917 | 1.13265410 |
| 4 | 4s | 1.418375 | -.06401189 |
| 5 | 5s | 3.426041 | -.00826927 |
| 6 | 4s | 7.376807 | .00063030 |
| 7 | 5s | .502869 | .09335405 |
| ORB.ENERGY,a.u. | -.097843 | ||
| NORM | 1.000000 | < R > | 7.865035 | < R2 > | 68.693663 | < 1/R > | .143736 | < 1/R**2 > | .034981 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 3.384446 | .26534108 |
| 2 | 2s | 1.379519 | -.81172423 |
| 3 | 3s | 1.308959 | -.37930124 |
| 4 | 4s | 2.885010 | .05065633 |
| 5 | 3s | 3.729548 | .08129723 |
| 6 | 5s | .905637 | .04716327 |
| 7 | 4s | .529660 | .09699512 |
| 8 | 3s | 59.381853 | .00000697 |
| 9 | 4s | 32.346811 | .00003617 |
| ORB.ENERGY,a.u. | -.497510 | ||
| NORM | 1.000000 | < R > | 2.236441 | < R2 > | 6.244140 | < 1/R > | .627998 | < 1/R**2 > | 1.548870 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.374967 | .89213216 |
| 2 | 1s | 5.926105 | .12508511 |
| 3 | 2s | 1.149725 | .00135840 |
| 4 | 3s | 4.336273 | -.01446464 |
| 5 | 4s | 6.250048 | .00526343 |
| 6 | 5s | 9.561066 | .00168726 |
| 7 | 5s | 29.157141 | -.00005855 |
| ORB.ENERGY,a.u. | -4.532600 |
| NORM | 1.000000 | < R > | .415071 | < R2 > | .233144 | < 1/R > | 3.682004 | < 1/R**2 > | 27.757534 |
Total Energy= -14.37674847 a.u.
Kinetic Energy= 14.37522353 a.u.
Potential Energy= -28.75197200 a.u.
Virial Ratio = -2.00010608