(1s 2 2s 1 3s 1 ) 3 S Be 0
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 | 3.663912 | .06325780 |
| 2 | 2s | .905069 | -.32431115 |
| 3 | 3s | .491454 | 1.11584244 |
| 4 | 4s | 2.494721 | -.06449211 |
| 5 | 5s | 1.863124 | -.03800859 |
| 6 | 4s | 6.827758 | .00152570 |
| 7 | 5s | .431887 | .01496493 |
| ORB.ENERGY,a.u. | -.100110 | ||
| NORM | 1.000000 | < R > | 7.719471 | < R2 > | 67.145718 | < 1/R > | .164565 | < 1/R**2 > | .125697 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 3.647616 | .22999610 |
| 2 | 2s | 1.124134 | -.74420998 |
| 3 | 3s | 1.654329 | -.28821061 |
| 4 | 4s | 4.559375 | .02123393 |
| 5 | 3s | 5.021620 | .01576597 |
| 6 | 5s | 2.800444 | -.00358222 |
| 7 | 5s | 20.289104 | -.00009737 |
| 8 | 4s | 1.320052 | -.00956329 |
| ORB.ENERGY,a.u. | -.499780 | ||
| NORM | 1.000000 | < R > | 2.274114 | < R2 > | 6.060334 | < 1/R > | .609775 | < 1/R**2 > | 1.463338 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.375479 | .89183034 |
| 2 | 1s | 5.924207 | .12517689 |
| 3 | 2s | 1.340089 | .00162848 |
| 4 | 3s | 4.273702 | -.01485908 |
| 5 | 4s | 6.001838 | .00536124 |
| 6 | 5s | 9.629055 | .00195127 |
| 7 | 5s | 29.844820 | -.00005442 |
| 8 | 5s | .652195 | -.00025393 |
| ORB.ENERGY,a.u. | -4.532600 |
| NORM | 1.000000 | < R > | .415090 | < R2 > | .233174 | < 1/R > | 3.681910 | < 1/R**2 > | 27.756497 |
Total Energy= -14.37419568 a.u.
Kinetic Energy= 14.37748960 a.u.
Potential Energy= -28.75168528 a.u.
Virial Ratio = -1.99977090