(1s 2 2s 1 5d 1 ) 3 D Be 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3252.
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 | 5d- electron | |
| 1 | 3d | .196924 | 3.63705395 |
| 2 | 4d | .200182 | -9.41178601 |
| 3 | 5d | .203392 | 6.34959211 |
| 4 | 3d | .935871 | .02310716 |
| 5 | 4d | .157166 | .09336489 |
| 6 | 5d | .722547 | .02495993 |
| 7 | 4d | 9.247781 | .00001238 |
| ORB.ENERGY,a.u. | -.020351 | ||
| NORM | 1.000004 | < R > | 33.775033 | < R2 > | 1297.021649 | < 1/R > | .041609 | < 1/R**2 > | .003671 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 3.629986 | .23021350 |
| 2 | 2s | 1.148376 | -.73742964 |
| 3 | 3s | 1.637331 | -.28755055 |
| 4 | 4s | 4.400003 | .02318012 |
| 5 | 3s | 4.892838 | .01847847 |
| 6 | 5s | 1.489641 | -.02968131 |
| 7 | 5s | 19.536034 | -.00011735 |
| ORB.ENERGY,a.u. | -.606520 | ||
| NORM | 1.000000 | < R > | 2.282497 | < R2 > | 6.103789 | < 1/R > | .606871 | < 1/R**2 > | 1.446965 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.376912 | .89148944 |
| 2 | 1s | 5.919669 | .12529373 |
| 3 | 2s | 1.241139 | .00130682 |
| 4 | 3s | 4.325430 | -.01473710 |
| 5 | 4s | 6.136489 | .00602578 |
| 6 | 5s | 9.805437 | .00167126 |
| 7 | 5s | 30.077769 | -.00004905 |
| ORB.ENERGY,a.u. | -4.532600 |
| NORM | 1.000000 | < R > | .414991 | < R2 > | .233028 | < 1/R > | 3.682460 | < 1/R**2 > | 27.763103 |
Total Energy= -14.29916453 a.u.
Kinetic Energy= 14.29774372 a.u.
Potential Energy= -28.59690825 a.u.
Virial Ratio = -2.00009937