(1s 1 5s 1 ) 3 S B 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3050.
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 | 5s- electron | |
| 1 | 1s | 4.336136 | .08637617 |
| 2 | 2s | .983047 | -2.76122657 |
| 3 | 3s | 1.054169 | 5.77966932 |
| 4 | 4s | .727970 | -14.55545343 |
| 5 | 5s | .784340 | 12.49024099 |
| 6 | 2s | 3.010071 | .11092846 |
| 7 | 5s | 2.060042 | -.03493054 |
| 8 | 3s | .445349 | .04522137 |
| 9 | 4s | 14.207226 | -.00014658 |
| ORB.ENERGY,a.u. | -.337440 | ||
| NORM | 1.000006 | < R > | 9.007118 | < R2 > | 90.852699 | < 1/R > | .163401 | < 1/R**2 > | .255621 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.905738 | .75819741 |
| 2 | 1s | 5.102308 | .25532311 |
| 3 | 2s | 4.933336 | -.01520183 |
| 4 | 3s | 5.778128 | -.00041907 |
| ORB.ENERGY,a.u. | -12.337000 |
| NORM | 1.000000 | < R > | .299993 | < R2 > | .119998 | < 1/R > | 5.000220 | < 1/R**2 > | 50.004470 |
Total Energy= -12.83122243 a.u.
Kinetic Energy= 12.83321268 a.u.
Potential Energy= -25.66443511 a.u.
Virial Ratio = -1.99984491