(1s 1 4s 1 ) 1 S B 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1040.
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 | .717188 | .94016125 |
| 2 | 2s | 1.060999 | -3.92989404 |
| 3 | 3s | .966717 | 9.20486839 |
| 4 | 4s | 1.016345 | -7.18690304 |
| 5 | 5s | 2.118060 | .07865341 |
| 6 | 3s | 5.978404 | .01489111 |
| 7 | 2s | 9.905770 | .00099886 |
| 8 | 5s | .658823 | -.00310043 |
| ORB.ENERGY,a.u. | -.524560 | ||
| NORM | 1.000008 | < R > | 5.760442 | < R2 > | 37.338378 | < 1/R > | .237218 | < 1/R**2 > | .206517 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | .541252 | .24143550 |
| 2 | 1s | 5.005279 | .99342576 |
| 3 | 2s | 1.964987 | -.11760079 |
| 4 | 3s | .643739 | -.24138048 |
| 5 | 4s | 8.309676 | .00027598 |
| 6 | 5s | 2.606852 | -.02132242 |
| 7 | 5s | .749856 | .08137536 |
| 8 | 4s | .473498 | -.00173539 |
| ORB.ENERGY,a.u. | -12.243000 |
| NORM | 1.000000 | < R > | .306289 | < R2 > | .177377 | < 1/R > | 5.018079 | < 1/R**2 > | 50.311152 |
Total Energy= -13.02446905 a.u.
Kinetic Energy= 13.02029842 a.u.
Potential Energy= -26.04476747 a.u.
Virial Ratio = -2.00032032