(1s 2 2s 1 5s 1 ) 1 S Be 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1050.
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 | 5s- electron | |
| 1 | 1s | 3.116324 | .01451915 |
| 2 | 2s | .438046 | -.56241629 |
| 3 | 3s | .496354 | 1.06430898 |
| 4 | 4s | .246905 | -.51604075 |
| 5 | 5s | .233907 | 2.26952713 |
| 6 | 5s | .329750 | -1.64205137 |
| 7 | 1s | 9.762718 | .00024435 |
| 8 | 3s | 22.562896 | .00002852 |
| ORB.ENERGY,a.u. | -.026815 | ||
| NORM | 1.000005 | < R > | 28.025750 | < R2 > | 878.299232 | < 1/R > | .046438 | < 1/R**2 > | .007380 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 3.835927 | .21312489 |
| 2 | 2s | .827255 | -.51543799 |
| 3 | 3s | 1.659217 | -.58505580 |
| 4 | 4s | .902938 | .14467991 |
| 5 | 5s | .201487 | .37193346 |
| 6 | 5s | 3.856418 | -.03338670 |
| 7 | 4s | .161838 | -.41786616 |
| 8 | 3s | 13.896667 | -.00120398 |
| 9 | 4s | 20.210817 | .00039772 |
| 10 | 2s | 41.361840 | -.00001364 |
| 11 | 5s | .150934 | .07329240 |
| ORB.ENERGY,a.u. | -.604070 | ||
| NORM | 1.000000 | < R > | 2.291876 | < R2 > | 6.914419 | < 1/R > | .610136 | < 1/R**2 > | 1.462303 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.382550 | .88891760 |
| 2 | 1s | 5.899447 | .12607794 |
| 3 | 2s | 1.198915 | .00126792 |
| 4 | 3s | 4.530335 | -.01420904 |
| 5 | 4s | 6.502522 | .00873362 |
| 6 | 5s | 11.460364 | .00079748 |
| 7 | 5s | 98.791687 | .00000226 |
| ORB.ENERGY,a.u. | -4.532600 |
| NORM | 1.000000 | < R > | .415002 | < R2 > | .233044 | < 1/R > | 3.682395 | < 1/R**2 > | 27.762283 |
Total Energy= -14.30467523 a.u.
Kinetic Energy= 14.30420866 a.u.
Potential Energy= -28.60888390 a.u.
Virial Ratio = -2.00003262