(1s 2 2s 1 5d 1 ) 1 D Be 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1252.
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 | .196666 | 3.59233648 |
| 2 | 4d | .200295 | -8.70696550 |
| 3 | 5d | .198962 | 5.72818133 |
| 4 | 3d | 2.584628 | .00039990 |
| 5 | 4d | .332334 | .06683514 |
| 6 | 5d | 2.716256 | .00084883 |
| 7 | 4d | 1.097398 | -.00358404 |
| ORB.ENERGY,a.u. | -.019896 | ||
| NORM | 1.000046 | < R > | 34.717277 | < R2 > | 1366.416362 | < 1/R > | .039630 | < 1/R**2 > | .003116 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 3.624346 | .23101933 |
| 2 | 2s | 1.164405 | -.73408417 |
| 3 | 3s | 1.622329 | -.28831365 |
| 4 | 4s | 4.332924 | .02527539 |
| 5 | 3s | 4.949398 | .01943080 |
| 6 | 5s | 1.485156 | -.03631192 |
| 7 | 5s | 16.169149 | -.00015591 |
| 8 | 3s | 43.492580 | .00000862 |
| ORB.ENERGY,a.u. | -.606060 | ||
| NORM | 1.000000 | < R > | 2.279582 | < R2 > | 6.085748 | < 1/R > | .607553 | < 1/R**2 > | 1.450113 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 3.375470 | .89138368 |
| 2 | 1s | 5.918869 | .12560944 |
| 3 | 2s | 1.256598 | .00134320 |
| 4 | 3s | 4.271872 | -.01460788 |
| 5 | 4s | 6.006777 | .00528803 |
| 6 | 5s | 9.606104 | .00196763 |
| 7 | 5s | 29.921111 | -.00005445 |
| ORB.ENERGY,a.u. | -4.532600 |
| NORM | 1.000000 | < R > | .414994 | < R2 > | .233032 | < 1/R > | 3.682445 | < 1/R**2 > | 27.762925 |
Total Energy= -14.29862801 a.u.
Kinetic Energy= 14.29728938 a.u.
Potential Energy= -28.59591739 a.u.
Virial Ratio = -2.00009363