(1s 2 2s 1 5p 1 ) 3 P Be 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3151.
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 | 5p- electron | |
| 1 | 2p | .263095 | .84023321 |
| 2 | 3p | .329391 | -2.04755542 |
| 3 | 4p | .212169 | 5.56868527 |
| 4 | 5p | .215839 | -5.21484400 |
| 5 | 2p | 1.395588 | .07723394 |
| 6 | 5p | 1.503248 | .02907666 |
| 7 | 3p | 2.868893 | -.00951048 |
| ORB.ENERGY,a.u. | -.022927 | ||
| NORM | 1.000027 | < R > | 31.845057 | < R2 > | 1139.833664 | < 1/R > | .044888 | < 1/R**2 > | .007574 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 3.630485 | .23010510 |
| 2 | 2s | 1.154878 | -.73562400 |
| 3 | 3s | 1.629739 | -.28798943 |
| 4 | 4s | 4.369195 | .02471667 |
| 5 | 3s | 4.981270 | .01861787 |
| 6 | 5s | 1.492290 | -.03265318 |
| 7 | 5s | 16.354503 | -.00014814 |
| 8 | 3s | 43.964760 | .00000811 |
| ORB.ENERGY,a.u. | -.607740 | ||
| NORM | 1.000000 | < R > | 2.282094 | < R2 > | 6.100064 | < 1/R > | .606827 | < 1/R**2 > | 1.446403 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.375469 | .89175043 |
| 2 | 1s | 5.922375 | .12533165 |
| 3 | 2s | 1.267481 | .00133144 |
| 4 | 3s | 4.281200 | -.01464019 |
| 5 | 4s | 6.036018 | .00526535 |
| 6 | 5s | 9.595002 | .00191734 |
| 7 | 5s | 29.629170 | -.00005617 |
| ORB.ENERGY,a.u. | -4.532600 |
| NORM | 1.000000 | < R > | .415007 | < R2 > | .233051 | < 1/R > | 3.682369 | < 1/R**2 > | 27.762054 |
Total Energy= -14.29997237 a.u.
Kinetic Energy= 14.30031931 a.u.
Potential Energy= -28.60029168 a.u.
Virial Ratio = -1.99997574