(1s 2 3s 1 ) 2 S B 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
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 | 4.287084 | .15040507 |
| 2 | 2s | .892904 | -2.15011465 |
| 3 | 3s | 1.041818 | 2.96999619 |
| 4 | 4s | 2.335796 | -.18080481 |
| 5 | 5s | 4.213419 | -.03927540 |
| 6 | 4s | 8.644796 | .00388967 |
| 7 | 5s | .863403 | .01180810 |
| 8 | 5s | 22.841800 | .00009081 |
| 9 | 4s | 95.102791 | -.00000187 |
| ORB.ENERGY,a.u. | -.571930 | ||
| NORM | 1.000000 | < R > | 3.945564 | < R2 > | 17.689675 | < 1/R > | .364332 | < 1/R**2 > | .790117 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.223763 | .73054030 |
| 2 | 1s | 7.058688 | .21869561 |
| 3 | 2s | 5.732462 | .07762621 |
| 4 | 3s | 5.987596 | -.01293426 |
| 5 | 4s | 8.833038 | .00639236 |
| 6 | 5s | 5.246462 | -.00331098 |
| 7 | 5s | 26.772293 | -.00006918 |
| 8 | 3s | 24.693110 | -.00005611 |
| ORB.ENERGY,a.u. | -9.533200 |
| NORM | 1.000000 | < R > | .324640 | < R2 > | .142040 | < 1/R > | 4.685933 | < 1/R**2 > | 44.714855 |
Total Energy= -22.55804876 a.u.
Kinetic Energy= 22.55805025 a.u.
Potential Energy= -45.11609901 a.u.
Virial Ratio = -1.99999993