(1s 2 4p 1 ) 2 P Be +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2141.
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 | 4p- electron | |
| 1 | 2p | .358646 | .35432375 |
| 2 | 2p | .542376 | 1.90545223 |
| 3 | 3p | .515802 | -5.69122692 |
| 4 | 4p | .512702 | 4.20088039 |
| 5 | 2p | 3.451434 | .01010159 |
| 6 | 3p | 1.002732 | -.10656584 |
| 7 | 5p | 7.217073 | -.00098190 |
| 8 | 4p | 10.649293 | -.00022750 |
| ORB.ENERGY,a.u. | -.127660 | ||
| NORM | 1.000002 | < R > | 11.243173 | < R2 > | 143.531931 | < 1/R > | .129624 | < 1/R**2 > | .048087 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.251713 | .75166366 |
| 2 | 1s | 5.887574 | .20560352 |
| 3 | 2s | 5.115742 | .06547486 |
| 4 | 3s | 3.351160 | -.01058303 |
| 5 | 4s | 6.619419 | .00740492 |
| 6 | 5s | 21.984822 | -.00016160 |
| 7 | 4s | 33.102817 | -.00002970 |
| ORB.ENERGY,a.u. | -5.452300 |
| NORM | 1.000000 | < R > | .414321 | < R2 > | .232078 | < 1/R > | 3.686468 | < 1/R**2 > | 27.813319 |
Total Energy= -13.73896087 a.u.
Kinetic Energy= 13.73895799 a.u.
Potential Energy= -27.47791886 a.u.
Virial Ratio = -2.00000021