(1s 2 4d 1 ) 2 D B 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2242.
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 | .789525 | 1.77709609 |
| 2 | 4d | .747583 | -2.27807647 |
| 3 | 5d | 10.273956 | .00015729 |
| 4 | 4d | 17.211132 | .00002991 |
| 5 | 3d | 3.301925 | .00056609 |
| ORB.ENERGY,a.u. | -.281380 | ||
| NORM | 1.000000 | < R > | 6.995724 | < R2 > | 55.940008 | < 1/R > | .187725 | < 1/R**2 > | .056477 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.223206 | .73089054 |
| 2 | 1s | 7.062907 | .21859443 |
| 3 | 2s | 5.739824 | .07700658 |
| 4 | 3s | 5.502830 | -.01328263 |
| 5 | 4s | 8.500190 | .00595317 |
| 6 | 5s | 30.980793 | -.00008002 |
| 7 | 5s | 4.963235 | -.00225321 |
| ORB.ENERGY,a.u. | -9.444700 |
| NORM | 1.000000 | < R > | .324498 | < R2 > | .141895 | < 1/R > | 4.687413 | < 1/R**2 > | 44.738509 |
Total Energy= -22.26887663 a.u.
Kinetic Energy= 22.26760462 a.u.
Potential Energy= -44.53648125 a.u.
Virial Ratio = -2.00005712