(1s 1 4d 1 ) 1 D B 3+
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 | 1.160995 | 1.24701167 |
| 2 | 4d | .986389 | -1.90519717 |
| 3 | 4d | 1.688989 | .05034372 |
| 4 | 5d | 1.390642 | .15146002 |
| 5 | 5d | 22.458606 | .00001755 |
| 6 | 4d | 5.942281 | -.00012264 |
| ORB.ENERGY,a.u. | -.504030 | ||
| NORM | .999998 | < R > | 5.252224 | < R2 > | 31.524752 | < 1/R > | .249821 | < 1/R**2 > | .099790 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 4.905558 | .75820820 |
| 2 | 1s | 5.102245 | .25532051 |
| 3 | 2s | 4.945935 | -.01520576 |
| 4 | 3s | 4.777549 | -.00047998 |
| ORB.ENERGY,a.u. | -12.223000 |
| NORM | 1.000000 | < R > | .299988 | < R2 > | .119987 | < 1/R > | 5.000112 | < 1/R**2 > | 50.001671 |
Total Energy= -13.00289015 a.u.
Kinetic Energy= 12.99984398 a.u.
Potential Energy= -26.00273413 a.u.
Virial Ratio = -2.00023432