(1s 2 2s 1 4p 1 ) 3 P Be 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3141.
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 | .437517 | 1.20882893 |
| 2 | 3p | .530494 | -1.41389795 |
| 3 | 4p | .263838 | 1.56413999 |
| 4 | 5p | .479873 | -.81799937 |
| 5 | 2p | 2.793709 | .00932601 |
| 6 | 5p | 1.643013 | -.03324452 |
| 7 | 3p | 13.591118 | .00033320 |
| 8 | 4p | 20.295545 | -.00016186 |
| 9 | 3p | .170324 | -.04640197 |
| ORB.ENERGY,a.u. | -.037257 | ||
| NORM | .999998 | < R > | 19.295963 | < R2 > | 420.669860 | < 1/R > | .072466 | < 1/R**2 > | .015628 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 3.626280 | .23020008 |
| 2 | 2s | 1.153102 | -.73596996 |
| 3 | 3s | 1.625434 | -.28792007 |
| 4 | 4s | 4.390790 | .02330667 |
| 5 | 3s | 4.883960 | .01869118 |
| 6 | 5s | 1.486442 | -.03154394 |
| 7 | 5s | 19.500613 | -.00011825 |
| ORB.ENERGY,a.u. | -.575780 | ||
| NORM | 1.000000 | < R > | 2.284269 | < R2 > | 6.112027 | < 1/R > | .606159 | < 1/R**2 > | 1.442912 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.375042 | .89200610 |
| 2 | 1s | 5.924754 | .12520959 |
| 3 | 2s | 1.280045 | .00132553 |
| 4 | 3s | 4.281485 | -.01471513 |
| 5 | 4s | 6.034574 | .00516316 |
| 6 | 5s | 9.564546 | .00193017 |
| 7 | 5s | 29.475265 | -.00005774 |
| ORB.ENERGY,a.u. | -4.532600 |
| NORM | 1.000000 | < R > | .415022 | < R2 > | .233071 | < 1/R > | 3.682286 | < 1/R**2 > | 27.761111 |
Total Energy= -14.31389417 a.u.
Kinetic Energy= 14.31465047 a.u.
Potential Energy= -28.62854465 a.u.
Virial Ratio = -1.99994717