(1s 1 3s 1 ) 3 S B 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3030.
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 | 3.377630 | .27538915 |
| 2 | 2s | 1.827121 | -1.06311022 |
| 3 | 3s | 1.352427 | 1.76698531 |
| 4 | 4s | 2.216966 | -.31727380 |
| 5 | 5s | 3.933052 | -.03946044 |
| 6 | 5s | .969911 | -.00142826 |
| 7 | 4s | 7.443722 | .00218474 |
| ORB.ENERGY,a.u. | -.957140 | ||
| NORM | 1.000000 | < R > | 3.155767 | < R2 > | 11.305177 | < 1/R > | .460467 | < 1/R**2 > | 1.226933 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.906911 | .75826733 |
| 2 | 1s | 5.101057 | .25534202 |
| 3 | 2s | 5.065172 | -.01407447 |
| 4 | 3s | 5.583641 | -.00159281 |
| 5 | 4s | 5.611816 | .00014002 |
| 6 | 5s | 9.855010 | -.00022431 |
| ORB.ENERGY,a.u. | -12.068000 |
| NORM | 1.000000 | < R > | .299950 | < R2 > | .119980 | < 1/R > | 5.001228 | < 1/R**2 > | 50.024092 |
Total Energy= -13.44272473 a.u.
Kinetic Energy= 13.45271119 a.u.
Potential Energy= -26.89543592 a.u.
Virial Ratio = -1.99925766