(1s 2 4s 1 ) 2 S B 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2040.
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 | 4s- electron | |
| 1 | 1s | 4.240017 | .09680196 |
| 2 | 2s | .938690 | -1.27376047 |
| 3 | 3s | .801775 | 4.28597117 |
| 4 | 4s | .793176 | -3.89762990 |
| 5 | 5s | 1.393773 | .22396468 |
| 6 | 4s | 2.772471 | -.08891984 |
| 7 | 4s | 7.444764 | .00519911 |
| 8 | 5s | 20.265792 | .00015921 |
| ORB.ENERGY,a.u. | -.310530 | ||
| NORM | 1.000000 | < R > | 7.254811 | < R2 > | 59.225600 | < 1/R > | .200246 | < 1/R**2 > | .317215 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.221710 | .73095287 |
| 2 | 1s | 7.064519 | .21860359 |
| 3 | 2s | 5.739518 | .07708350 |
| 4 | 3s | 5.529713 | -.01339339 |
| 5 | 4s | 8.544460 | .00595330 |
| 6 | 5s | 30.985795 | -.00007791 |
| 7 | 5s | 4.953004 | -.00228791 |
| ORB.ENERGY,a.u. | -8.889100 |
| NORM | 1.000000 | < R > | .324548 | < R2 > | .141945 | < 1/R > | 4.686869 | < 1/R**2 > | 44.729721 |
Total Energy= -22.29671194 a.u.
Kinetic Energy= 22.29670839 a.u.
Potential Energy= -44.59342033 a.u.
Virial Ratio = -2.00000016