(1s 2 2s 1 4d 1 ) 1 D Be 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1242.
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 | 4d- electron | |
| 1 | 3d | .222744 | 3.01468235 |
| 2 | 4d | .239729 | -3.92168422 |
| 3 | 5d | .524812 | .02123650 |
| 4 | 4d | 5.288927 | .00024511 |
| 5 | 5d | 2.950602 | .00184602 |
| 6 | 5d | .244397 | .31985088 |
| 7 | 3d | .939999 | -.00381715 |
| ORB.ENERGY,a.u. | -.031057 | ||
| NORM | .999976 | < R > | 21.169022 | < R2 > | 511.651751 | < 1/R > | .061778 | < 1/R**2 > | .006069 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 3.620116 | .23146935 |
| 2 | 2s | 1.170799 | -.73274808 |
| 3 | 3s | 1.616849 | -.28844581 |
| 4 | 4s | 4.289057 | .02510801 |
| 5 | 3s | 4.883261 | .02061285 |
| 6 | 5s | 1.482332 | -.03940128 |
| 7 | 5s | 15.993765 | -.00015825 |
| 8 | 3s | 42.680200 | .00000923 |
| ORB.ENERGY,a.u. | -.572200 | ||
| NORM | 1.000000 | < R > | 2.279091 | < R2 > | 6.082628 | < 1/R > | .607663 | < 1/R**2 > | 1.450623 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.374526 | .89227458 |
| 2 | 1s | 5.926601 | .12514167 |
| 3 | 2s | 1.249367 | .00132825 |
| 4 | 3s | 4.269165 | -.01502147 |
| 5 | 4s | 6.001528 | .00518374 |
| 6 | 5s | 9.557725 | .00196489 |
| 7 | 5s | 29.515008 | -.00005782 |
| ORB.ENERGY,a.u. | -4.532600 |
| NORM | 1.000000 | < R > | .414994 | < R2 > | .233033 | < 1/R > | 3.682442 | < 1/R**2 > | 27.762885 |
Total Energy= -14.31080490 a.u.
Kinetic Energy= 14.30844800 a.u.
Potential Energy= -28.61925290 a.u.
Virial Ratio = -2.00016472