(1s 2 2s 1 5s 1 ) 3 S Be 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 3.231307 | .02984348 |
| 2 | 2s | .937438 | -.19508884 |
| 3 | 3s | .457418 | .86700989 |
| 4 | 4s | .262807 | -2.98342809 |
| 5 | 5s | .244676 | 2.99161763 |
| 6 | 5s | .943424 | -.05778996 |
| 7 | 4s | 4.542918 | .00349429 |
| 8 | 2s | 6.927383 | -.00054877 |
| 9 | 2s | .071431 | .00382438 |
| ORB.ENERGY,a.u. | -.027542 | ||
| NORM | 1.000003 | < R > | 27.342722 | < R2 > | 836.569123 | < 1/R > | .050043 | < 1/R**2 > | .019257 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 3.630957 | .23049169 |
| 2 | 2s | 1.154883 | -.73631857 |
| 3 | 3s | 1.634671 | -.28828805 |
| 4 | 4s | 4.347262 | .02451677 |
| 5 | 3s | 4.946988 | .01915884 |
| 6 | 5s | 1.488438 | -.03192982 |
| 7 | 5s | 16.277080 | -.00015108 |
| 8 | 3s | 43.823424 | .00000827 |
| ORB.ENERGY,a.u. | -.604800 | ||
| NORM | 1.000000 | < R > | 2.279593 | < R2 > | 6.087030 | < 1/R > | .607693 | < 1/R**2 > | 1.451218 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.372576 | .89258802 |
| 2 | 1s | 5.927809 | .12529046 |
| 3 | 2s | 1.280756 | .00137175 |
| 4 | 3s | 4.409693 | -.01473600 |
| 5 | 4s | 6.041029 | .00530272 |
| 6 | 5s | 9.729307 | .00192841 |
| 7 | 5s | 30.597538 | -.00004862 |
| 8 | 5s | 4.671606 | -.00112415 |
| ORB.ENERGY,a.u. | -4.532600 |
| NORM | 1.000000 | < R > | .415007 | < R2 > | .233051 | < 1/R > | 3.682370 | < 1/R**2 > | 27.762018 |
Total Energy= -14.30449944 a.u.
Kinetic Energy= 14.30493560 a.u.
Potential Energy= -28.60943504 a.u.
Virial Ratio = -1.99996951