(1s 1 4s 1 ) 3 S B 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
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 | 2.072424 | .36790519 |
| 2 | 2s | 2.337621 | -.66754622 |
| 3 | 3s | .865407 | 3.16461516 |
| 4 | 4s | .967057 | -4.25296421 |
| 5 | 5s | 1.622020 | .84339497 |
| 6 | 4s | 2.846674 | -.17639657 |
| 7 | 5s | 19.201954 | -.00010471 |
| ORB.ENERGY,a.u. | -.530460 | ||
| NORM | 1.000004 | < R > | 5.706463 | < R2 > | 36.626589 | < 1/R > | .256680 | < 1/R**2 > | .506096 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.906336 | .75815468 |
| 2 | 1s | 5.102308 | .25529003 |
| 3 | 2s | 4.922247 | -.01509294 |
| 4 | 3s | 5.911189 | -.00053267 |
| 5 | 4s | 4.984721 | .00013038 |
| ORB.ENERGY,a.u. | -12.249000 |
| NORM | 1.000000 | < R > | .299984 | < R2 > | .119995 | < 1/R > | 5.000457 | < 1/R**2 > | 50.009173 |
Total Energy= -13.02218235 a.u.
Kinetic Energy= 13.02618510 a.u.
Potential Energy= -26.04836746 a.u.
Virial Ratio = -1.99969272